CID 5274496

5-[3-(dimethylamino)propyl]-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile

Structural Information

Molecular Formula
C23H23N5O3
SMILES
CN(C)CCCN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-])C#N
InChI
InChI=1S/C23H23N5O3/c1-25(2)12-5-13-26-20-7-4-3-6-19(20)22-21(26)14-16(15-24)23(29)27(22)17-8-10-18(11-9-17)28(30)31/h3-4,6-11,14,21-22H,5,12-13H2,1-2H3
InChIKey
XJVRVCOVBCZESP-UHFFFAOYSA-N
Compound name
5-[3-(dimethylamino)propyl]-1-(4-nitrophenyl)-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

417.18008 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.18736 205.7
[M+Na]+ 440.16930 213.0
[M-H]- 416.17280 209.7
[M+NH4]+ 435.21390 214.4
[M+K]+ 456.14324 201.1
[M+H-H2O]+ 400.17734 192.6
[M+HCOO]- 462.17828 220.0
[M+CH3COO]- 476.19393 236.3
[M+Na-2H]- 438.15475 206.7
[M]+ 417.17953 200.0
[M]- 417.18063 200.0
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.