CID 1272959

N-(3,4-difluorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C23H17F2N3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)F)F
InChI
InChI=1S/C23H17F2N3O2S/c1-14-6-9-16(10-7-14)28-22(30)17-4-2-3-5-20(17)27-23(28)31-13-21(29)26-15-8-11-18(24)19(25)12-15/h2-12H,13H2,1H3,(H,26,29)
InChIKey
MVMBYYWBTRXHGQ-UHFFFAOYSA-N
Compound name
N-(3,4-difluorophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.10095 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.10823 200.2
[M+Na]+ 460.09017 215.0
[M+NH4]+ 455.13477 206.1
[M+K]+ 476.06411 204.5
[M-H]- 436.09367 204.0
[M+Na-2H]- 458.07562 208.4
[M]+ 437.10040 203.8
[M]- 437.10150 203.8
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.