CID 5274533

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

Structural Information

Molecular Formula
C23H17N3OS
SMILES
CN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=CSC=C5)C#N
InChI
InChI=1S/C23H17N3OS/c1-25-20-5-3-2-4-19(20)22-21(25)12-17(13-24)23(27)26(22)18-8-6-15(7-9-18)16-10-11-28-14-16/h2-12,14,21-22H,1H3
InChIKey
XTZTVYPEWABJGY-UHFFFAOYSA-N
Compound name
5-methyl-2-oxo-1-(4-thiophen-3-ylphenyl)-4a,9b-dihydropyrido[3,2-b]indole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.10922 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.11650 200.0
[M+Na]+ 406.09844 213.9
[M-H]- 382.10194 207.6
[M+NH4]+ 401.14304 213.9
[M+K]+ 422.07238 202.4
[M+H-H2O]+ 366.10648 185.6
[M+HCOO]- 428.10742 210.8
[M+CH3COO]- 442.12307 208.7
[M+Na-2H]- 404.08389 196.3
[M]+ 383.10867 197.2
[M]- 383.10977 197.2
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.