Rs-2073 (C19H22N2O3)

Structural Information

Molecular Formula

SMILES

C[C@]12CCC[C@@H]3[C@H]1C4=C(C[C@H]3N)C5=CC(=C(C=C5N4C(=O)C2)O)O

InChI

InChI=1S/C19H22N2O3/c1-19-4-2-3-9-12(20)5-11-10-6-14(22)15(23)7-13(10)21(16(24)8-19)18(11)17(9)19/h6-7,9,12,17,22-23H,2-5,8,20H2,1H3/t9-,12+,17-,19+/m0/s1

InChIKey

LPODMCYVZWDRJJ-UXOLTFTNSA-N

Compound name

(10R,11R,15R,19R)-10-amino-4,5-dihydroxy-15-methyl-1-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one

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]+	327.170336	175.4
[M+Na]+	349.152278	183.8
[M-H]-	325.155784	176.8
[M+NH4]+	344.196883	195.0
[M+K]+	365.126218	177.4
[M+H-H2O]+	309.160320	168.4
[M+HCOO]-	371.161261	185.4
[M+CH3COO]-	385.176911	184.6
[M+Na-2H]-	347.137726	178.4
[M]+	326.16251142	173.2
[M]-	326.16360858	173.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

327.170336

175.4

[M+Na]+

349.152278

183.8

[M-H]-

325.155784

176.8

[M+NH4]+

344.196883

195.0

[M+K]+

365.126218

177.4

[M+H-H2O]+

309.160320

168.4

[M+HCOO]-

371.161261

185.4

[M+CH3COO]-

385.176911

184.6

[M+Na-2H]-

347.137726

178.4

[M]+

326.16251142

173.2

[M]-

326.16360858

173.2

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

Rs-2073

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe