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 198.7
[M+Na]+ 442.09960 207.9
[M-H]- 418.10310 205.4
[M+NH4]+ 437.14420 207.1
[M+K]+ 458.07354 199.4
[M+H-H2O]+ 402.10764 186.7
[M+HCOO]- 464.10858 212.8
[M+CH3COO]- 478.12423 207.3
[M+Na-2H]- 440.08505 200.8
[M]+ 419.10983 201.0
[M]- 419.11093 201.0
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.