CID 5274537

1-(4-nitrophenyl)-5,9b-dihydro-4ah-pyrido[3,2-b]indol-2-one

Structural Information

Molecular Formula
C17H13N3O3
SMILES
C1=CC=C2C(=C1)C3C(N2)C=CC(=O)N3C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C17H13N3O3/c21-16-10-9-15-17(13-3-1-2-4-14(13)18-15)19(16)11-5-7-12(8-6-11)20(22)23/h1-10,15,17-18H
InChIKey
HHMMUNIHGYTWTD-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-5,9b-dihydro-4aH-pyrido[3,2-b]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0957 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10298 167.7
[M+Na]+ 330.08492 174.4
[M-H]- 306.08842 172.4
[M+NH4]+ 325.12952 181.5
[M+K]+ 346.05886 164.3
[M+H-H2O]+ 290.09296 163.1
[M+HCOO]- 352.09390 185.4
[M+CH3COO]- 366.10955 197.3
[M+Na-2H]- 328.07037 174.0
[M]+ 307.09515 163.2
[M]- 307.09625 163.2
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.