CID 5274570

5-methyl-1-[4-(4-methylthiazol-2-yl)phenyl]-4a,9b-dihydropyrido[3,2-b]indol-2-one

Structural Information

Molecular Formula
C22H19N3OS
SMILES
CC1=CSC(=N1)C2=CC=C(C=C2)N3C4C(C=CC3=O)N(C5=CC=CC=C45)C
InChI
InChI=1S/C22H19N3OS/c1-14-13-27-22(23-14)15-7-9-16(10-8-15)25-20(26)12-11-19-21(25)17-5-3-4-6-18(17)24(19)2/h3-13,19,21H,1-2H3
InChIKey
RYSWESMMDHISOC-UHFFFAOYSA-N
Compound name
5-methyl-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-4a,9b-dihydropyrido[3,2-b]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.12488 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13216 190.8
[M+Na]+ 396.11410 202.3
[M-H]- 372.11760 199.9
[M+NH4]+ 391.15870 205.8
[M+K]+ 412.08804 194.9
[M+H-H2O]+ 356.12214 182.5
[M+HCOO]- 418.12308 204.1
[M+CH3COO]- 432.13873 201.5
[M+Na-2H]- 394.09955 187.7
[M]+ 373.12433 194.0
[M]- 373.12543 194.0
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.