CID 1272959

474790-20-0

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 202.3
[M+Na]+ 460.09017 212.3
[M-H]- 436.09367 208.0
[M+NH4]+ 455.13477 210.2
[M+K]+ 476.06411 203.5
[M+H-H2O]+ 420.09821 189.5
[M+HCOO]- 482.09915 215.3
[M+CH3COO]- 496.11480 210.6
[M+Na-2H]- 458.07562 203.0
[M]+ 437.10040 204.1
[M]- 437.10150 204.1
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.