CID 5274522

1-(4-fluorophenyl)-5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile

Structural Information

Molecular Formula
C19H14FN3O
SMILES
CN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)F)C#N
InChI
InChI=1S/C19H14FN3O/c1-22-16-5-3-2-4-15(16)18-17(22)10-12(11-21)19(24)23(18)14-8-6-13(20)7-9-14/h2-10,17-18H,1H3
InChIKey
NWVCBBSIJLKRPH-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1121 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11938 175.5
[M+Na]+ 342.10132 188.5
[M-H]- 318.10482 178.5
[M+NH4]+ 337.14592 189.4
[M+K]+ 358.07526 178.0
[M+H-H2O]+ 302.10936 159.2
[M+HCOO]- 364.11030 188.8
[M+CH3COO]- 378.12595 184.7
[M+Na-2H]- 340.08677 176.3
[M]+ 319.11155 169.2
[M]- 319.11265 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.