CID 135491383

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

Structural Information

Molecular Formula
C24H20N4O3S
SMILES
CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC=CC=C4O
InChI
InChI=1S/C24H20N4O3S/c1-16-11-12-20-19(13-16)23(31)28(18-8-3-2-4-9-18)24(26-20)32-15-22(30)27-25-14-17-7-5-6-10-21(17)29/h2-14,29H,15H2,1H3,(H,27,30)/b25-14+
InChIKey
DKGRWJHZCSAMMR-AFUMVMLFSA-N
Compound name
N-[(E)-(2-hydroxyphenyl)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

444.1256 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.13288 205.2
[M+Na]+ 467.11482 212.9
[M-H]- 443.11832 213.1
[M+NH4]+ 462.15942 212.1
[M+K]+ 483.08876 205.1
[M+H-H2O]+ 427.12286 193.7
[M+HCOO]- 489.12380 221.4
[M+CH3COO]- 503.13945 213.3
[M+Na-2H]- 465.10027 208.7
[M]+ 444.12505 208.7
[M]- 444.12615 208.7
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.