CID 135501670

5-chloro-3-[3'-methylmercaptoquinolin-4'-one-3'-yl]iminoisatin

Structural Information

Molecular Formula
C17H11ClN4O2S
SMILES
CSC1=NC2=CC=CC=C2C(=O)N1/N=C\3/C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C17H11ClN4O2S/c1-25-17-20-12-5-3-2-4-10(12)16(24)22(17)21-14-11-8-9(18)6-7-13(11)19-15(14)23/h2-8H,1H3,(H,19,21,23)
InChIKey
IPZVNSKVFAZYET-UHFFFAOYSA-N
Compound name
3-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-2-methylsulfanylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.0291 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.03638 183.8
[M+Na]+ 393.01832 197.0
[M-H]- 369.02182 189.6
[M+NH4]+ 388.06292 197.7
[M+K]+ 408.99226 188.6
[M+H-H2O]+ 353.02636 176.0
[M+HCOO]- 415.02730 194.5
[M+CH3COO]- 429.04295 194.7
[M+Na-2H]- 391.00377 185.9
[M]+ 370.02855 189.4
[M]- 370.02965 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.