PubChemLite - Schembl6759874 (C30H32F2N6O6)

Structural Information

Molecular Formula

SMILES

CCOC(=O)C1=CN(C2=NC(=C(C=C2C1=O)F)N3CCN(CC3)C4=C(C=C(C=C4)N5C[C@@H](OC5=O)CNC(=O)C)F)C6CC6

InChI

InChI=1S/C30H32F2N6O6/c1-3-43-29(41)22-16-37(18-4-5-18)27-21(26(22)40)13-24(32)28(34-27)36-10-8-35(9-11-36)25-7-6-19(12-23(25)31)38-15-20(44-30(38)42)14-33-17(2)39/h6-7,12-13,16,18,20H,3-5,8-11,14-15H2,1-2H3,(H,33,39)/t20-/m0/s1

InChIKey

IJUQHXNZGAQURA-FQEVSTJZSA-N

Compound name

ethyl 7-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	611.24245	253.6
[M+Na]+	633.22439	260.2
[M-H]-	609.22789	261.1
[M+NH4]+	628.26899	245.2
[M+K]+	649.19833	252.1
[M+H-H2O]+	593.23243	239.6
[M+HCOO]-	655.23337	259.0
[M+CH3COO]-	669.24902	255.6
[M+Na-2H]-	631.20984	243.7
[M]+	610.23462	254.6
[M]-	610.23572	254.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

611.24245

253.6

[M+Na]+

633.22439

260.2

[M-H]-

609.22789

261.1

[M+NH4]+

628.26899

245.2

[M+K]+

649.19833

252.1

[M+H-H2O]+

593.23243

239.6

[M+HCOO]-

655.23337

259.0

[M+CH3COO]-

669.24902

255.6

[M+Na-2H]-

631.20984

243.7

[M]+

610.23462

254.6

[M]-

610.23572

254.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Schembl6759874

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe