CID 1845348

477330-15-7

Structural Information

Molecular Formula
C28H20ClN3O2S
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Cl
InChI
InChI=1S/C28H20ClN3O2S/c29-20-14-16-21(17-15-20)32-27(34)23-11-5-7-13-25(23)31-28(32)35-18-26(33)30-24-12-6-4-10-22(24)19-8-2-1-3-9-19/h1-17H,18H2,(H,30,33)
InChIKey
XIAKEJHLEVWKJI-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.09647 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.10375 217.2
[M+Na]+ 520.08569 225.8
[M-H]- 496.08919 227.5
[M+NH4]+ 515.13029 222.6
[M+K]+ 536.05963 216.0
[M+H-H2O]+ 480.09373 205.0
[M+HCOO]- 542.09467 227.3
[M+CH3COO]- 556.11032 224.6
[M+Na-2H]- 518.07114 219.7
[M]+ 497.09592 221.6
[M]- 497.09702 221.6
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.