PubChemLite - 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]+	327.17034	175.4
[M+Na]+	349.15228	183.8
[M-H]-	325.15578	176.8
[M+NH4]+	344.19688	195.0
[M+K]+	365.12622	177.4
[M+H-H2O]+	309.16032	168.4
[M+HCOO]-	371.16126	185.4
[M+CH3COO]-	385.17691	184.6
[M+Na-2H]-	347.13773	178.4
[M]+	326.16251	173.2
[M]-	326.16361	173.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

327.17034

175.4

[M+Na]+

349.15228

183.8

[M-H]-

325.15578

176.8

[M+NH4]+

344.19688

195.0

[M+K]+

365.12622

177.4

[M+H-H2O]+

309.16032

168.4

[M+HCOO]-

371.16126

185.4

[M+CH3COO]-

385.17691

184.6

[M+Na-2H]-

347.13773

178.4

[M]+

326.16251

173.2

[M]-

326.16361

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