CID 5274519

1-(4-fluoro-3-nitro-phenyl)-2-oxo-5,9b-dihydro-4ah-pyrido[3,2-b]indole-3-carbonitrile

Structural Information

Molecular Formula
C18H11FN4O3
SMILES
C1=CC=C2C(=C1)C3C(N2)C=C(C(=O)N3C4=CC(=C(C=C4)F)[N+](=O)[O-])C#N
InChI
InChI=1S/C18H11FN4O3/c19-13-6-5-11(8-16(13)23(25)26)22-17-12-3-1-2-4-14(12)21-15(17)7-10(9-20)18(22)24/h1-8,15,17,21H
InChIKey
VPQYDCVOHNDVBC-UHFFFAOYSA-N
Compound name
1-(4-fluoro-3-nitrophenyl)-2-oxo-5,9b-dihydro-4aH-pyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0815 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08878 184.2
[M+Na]+ 373.07072 194.3
[M-H]- 349.07422 185.7
[M+NH4]+ 368.11532 194.7
[M+K]+ 389.04466 180.8
[M+H-H2O]+ 333.07876 171.9
[M+HCOO]- 395.07970 196.8
[M+CH3COO]- 409.09535 216.0
[M+Na-2H]- 371.05617 186.8
[M]+ 350.08095 174.5
[M]- 350.08205 174.5
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.