CID 1273451

477331-23-0

Structural Information

Molecular Formula
C24H20FN3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)C)F
InChI
InChI=1S/C24H20FN3O2S/c1-15-7-11-18(12-8-15)28-23(30)19-5-3-4-6-21(19)27-24(28)31-14-22(29)26-17-10-9-16(2)20(25)13-17/h3-13H,14H2,1-2H3,(H,26,29)
InChIKey
ASDRACHVKOFWMS-UHFFFAOYSA-N
Compound name
N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.12604 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.13332 203.7
[M+Na]+ 456.11526 213.3
[M-H]- 432.11876 210.7
[M+NH4]+ 451.15986 211.8
[M+K]+ 472.08920 204.7
[M+H-H2O]+ 416.12330 191.7
[M+HCOO]- 478.12424 217.5
[M+CH3COO]- 492.13989 212.2
[M+Na-2H]- 454.10071 204.6
[M]+ 433.12549 206.8
[M]- 433.12659 206.8
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.