CID 1890684

763114-76-7

Structural Information

Molecular Formula
C24H22N2OS
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC(=C4)C)C
InChI
InChI=1S/C24H22N2OS/c1-16-9-12-20(13-10-16)26-23(27)21-6-4-5-7-22(21)25-24(26)28-15-19-14-17(2)8-11-18(19)3/h4-14H,15H2,1-3H3
InChIKey
UKKOWKQKFGXZQS-UHFFFAOYSA-N
Compound name
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1453 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15258 194.6
[M+Na]+ 409.13452 205.5
[M-H]- 385.13802 203.1
[M+NH4]+ 404.17912 205.4
[M+K]+ 425.10846 196.8
[M+H-H2O]+ 369.14256 183.8
[M+HCOO]- 431.14350 209.2
[M+CH3COO]- 445.15915 204.6
[M+Na-2H]- 407.11997 195.9
[M]+ 386.14475 199.1
[M]- 386.14585 199.1
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.