CID 9929127

Mln-120b

Structural Information

Molecular Formula
C19H15ClN4O2
SMILES
CC1=C(C=CC=N1)C(=O)NC2=C3C(=CC(=C2OC)Cl)C4=C(N3)C=NC=C4
InChI
InChI=1S/C19H15ClN4O2/c1-10-11(4-3-6-22-10)19(25)24-17-16-13(8-14(20)18(17)26-2)12-5-7-21-9-15(12)23-16/h3-9,23H,1-2H3,(H,24,25)
InChIKey
ZNOLRTPMNMPLHY-UHFFFAOYSA-N
Compound name
N-(6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-yl)-2-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

236
Patents

366.08835 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.09563 184.7
[M+Na]+ 389.07757 196.3
[M-H]- 365.08107 189.1
[M+NH4]+ 384.12217 197.1
[M+K]+ 405.05151 188.4
[M+H-H2O]+ 349.08561 175.3
[M+HCOO]- 411.08655 199.3
[M+CH3COO]- 425.10220 195.0
[M+Na-2H]- 387.06302 189.1
[M]+ 366.08780 189.9
[M]- 366.08890 189.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe