CID 9604677

6-methyl-3-phenyl-4(3h)-quinazolinone-2-ylmercapto-acetic acid 4-bromobenzylidenhydrazide

Structural Information

Molecular Formula
C24H19BrN4O2S
SMILES
CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC=C(C=C4)Br
InChI
InChI=1S/C24H19BrN4O2S/c1-16-7-12-21-20(13-16)23(31)29(19-5-3-2-4-6-19)24(27-21)32-15-22(30)28-26-14-17-8-10-18(25)11-9-17/h2-14H,15H2,1H3,(H,28,30)/b26-14+
InChIKey
YAHKTQFCMMIXOB-VULFUBBASA-N
Compound name
N-[(E)-(4-bromophenyl)methylideneamino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.0412 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.04848 201.1
[M+Na]+ 529.03042 211.6
[M-H]- 505.03392 212.2
[M+NH4]+ 524.07502 210.6
[M+K]+ 545.00436 196.9
[M+H-H2O]+ 489.03846 196.5
[M+HCOO]- 551.03940 216.5
[M+CH3COO]- 565.05505 211.5
[M+Na-2H]- 527.01587 206.3
[M]+ 506.04065 223.2
[M]- 506.04175 223.2
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.