CID 9604678

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

Structural Information

Molecular Formula
C24H19FN4O2S
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)F
InChI
InChI=1S/C24H19FN4O2S/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
VBIJZAWHSNJBMU-VULFUBBASA-N
Compound name
N-[(E)-(4-fluorophenyl)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

446.12128 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.12856 206.0
[M+Na]+ 469.11050 214.5
[M-H]- 445.11400 213.8
[M+NH4]+ 464.15510 213.5
[M+K]+ 485.08444 206.1
[M+H-H2O]+ 429.11854 193.2
[M+HCOO]- 491.11948 222.4
[M+CH3COO]- 505.13513 214.2
[M+Na-2H]- 467.09595 208.8
[M]+ 446.12073 208.9
[M]- 446.12183 208.9
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.