CID 1273450

475249-54-8

Structural Information

Molecular Formula
C23H18FN3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)F
InChI
InChI=1S/C23H18FN3O2S/c1-15-9-11-18(12-10-15)27-22(29)19-7-2-3-8-20(19)26-23(27)30-14-21(28)25-17-6-4-5-16(24)13-17/h2-13H,14H2,1H3,(H,25,28)
InChIKey
DNLQIPURUGUPLI-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.11038 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.11766 197.3
[M+Na]+ 442.09960 213.4
[M+NH4]+ 437.14420 204.2
[M+K]+ 458.07354 202.2
[M-H]- 418.10310 202.8
[M+Na-2H]- 440.08505 206.9
[M]+ 419.10983 201.7
[M]- 419.11093 201.7
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.