CID 9949093

Ps-1145

Structural Information

Molecular Formula
C17H11ClN4O
SMILES
C1=CC(=CN=C1)C(=O)NC2=CC(=CC3=C2NC4=C3C=CN=C4)Cl
InChI
InChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)
InChIKey
JZRMBDHPALEPDM-UHFFFAOYSA-N
Compound name
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

61
References

92
Patents

322.06213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06941 171.6
[M+Na]+ 345.05135 188.5
[M+NH4]+ 340.09595 180.0
[M+K]+ 361.02529 181.4
[M-H]- 321.05485 175.8
[M+Na-2H]- 343.03680 180.4
[M]+ 322.06158 175.5
[M]- 322.06268 175.5
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