CID 5163

Sb 206553

Structural Information

Molecular Formula
C17H16N4O
SMILES
CN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21
InChI
InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
InChIKey
QJQORSLQNXDVGE-UHFFFAOYSA-N
Compound name
1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

115
References

93
Patents

292.13242 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13970 167.0
[M+Na]+ 315.12164 176.6
[M-H]- 291.12514 172.8
[M+NH4]+ 310.16624 183.8
[M+K]+ 331.09558 171.2
[M+H-H2O]+ 275.12968 157.9
[M+HCOO]- 337.13062 188.0
[M+CH3COO]- 351.14627 178.7
[M+Na-2H]- 313.10709 170.7
[M]+ 292.13187 168.4
[M]- 292.13297 168.4
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