PubChemLite - 177472-30-9 (C20H24FN3O4)

Structural Information

Molecular Formula

SMILES

CCOC(=O)C1=CN2C(COC3=C2C(=CC(=C3N4CCN(CC4)C)F)C1=O)C

InChI

InChI=1S/C20H24FN3O4/c1-4-27-20(26)14-10-24-12(2)11-28-19-16(24)13(18(14)25)9-15(21)17(19)23-7-5-22(3)6-8-23/h9-10,12H,4-8,11H2,1-3H3

InChIKey

OEHYGCZCGGEXKX-UHFFFAOYSA-N

Compound name

ethyl 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-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]+	390.18236	196.8
[M+Na]+	412.16430	204.4
[M-H]-	388.16780	199.1
[M+NH4]+	407.20890	205.0
[M+K]+	428.13824	200.6
[M+H-H2O]+	372.17234	184.5
[M+HCOO]-	434.17328	204.8
[M+CH3COO]-	448.18893	225.2
[M+Na-2H]-	410.14975	196.4
[M]+	389.17453	197.2
[M]-	389.17563	197.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

390.18236

196.8

[M+Na]+

412.16430

204.4

[M-H]-

388.16780

199.1

[M+NH4]+

407.20890

205.0

[M+K]+

428.13824

200.6

[M+H-H2O]+

372.17234

184.5

[M+HCOO]-

434.17328

204.8

[M+CH3COO]-

448.18893

225.2

[M+Na-2H]-

410.14975

196.4

[M]+

389.17453

197.2

[M]-

389.17563

197.2

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

177472-30-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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