CID 135491382

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

Structural Information

Molecular Formula
C26H24N4O4S
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)CSC2=NC3=C(C=C(C=C3)C)C(=O)N2C4=CC=CC=C4)O
InChI
InChI=1S/C26H24N4O4S/c1-3-34-23-14-18(10-12-22(23)31)15-27-29-24(32)16-35-26-28-21-11-9-17(2)13-20(21)25(33)30(26)19-7-5-4-6-8-19/h4-15,31H,3,16H2,1-2H3,(H,29,32)/b27-15+
InChIKey
HVUPVGWRQCDACP-JFLMPSFJSA-N
Compound name
N-[(E)-(3-ethoxy-4-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

488.15182 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.15910 217.2
[M+Na]+ 511.14104 224.3
[M-H]- 487.14454 225.0
[M+NH4]+ 506.18564 222.3
[M+K]+ 527.11498 217.1
[M+H-H2O]+ 471.14908 205.2
[M+HCOO]- 533.15002 232.7
[M+CH3COO]- 547.16567 243.4
[M+Na-2H]- 509.12649 219.2
[M]+ 488.15127 223.0
[M]- 488.15237 223.0
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.