CID 5274569

4-[2-[4-(5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-1-yl)phenyl]thiazol-4-yl]benzonitrile

Structural Information

Molecular Formula
C28H20N4OS
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=NC(=CS5)C6=CC=C(C=C6)C#N
InChI
InChI=1S/C28H20N4OS/c1-31-24-5-3-2-4-22(24)27-25(31)14-15-26(33)32(27)21-12-10-20(11-13-21)28-30-23(17-34-28)19-8-6-18(16-29)7-9-19/h2-15,17,25,27H,1H3
InChIKey
IRGSUSHSJWOKRV-UHFFFAOYSA-N
Compound name
4-[2-[4-(5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-1-yl)phenyl]-1,3-thiazol-4-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.13577 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.14305 219.4
[M+Na]+ 483.12499 232.7
[M-H]- 459.12849 227.5
[M+NH4]+ 478.16959 228.3
[M+K]+ 499.09893 219.4
[M+H-H2O]+ 443.13303 202.8
[M+HCOO]- 505.13397 228.1
[M+CH3COO]- 519.14962 226.0
[M+Na-2H]- 481.11044 214.1
[M]+ 460.13522 216.0
[M]- 460.13632 216.0
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.