CID 1543098

477332-80-2

Structural Information

Molecular Formula
C23H18ClN3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H18ClN3O2S/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
AYIVYBYTVLILBK-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.0808 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.088076 200.8
[M+Na]+ 458.070018 210.5
[M-H]- 434.073524 208.8
[M+NH4]+ 453.114623 209.6
[M+K]+ 474.043958 201.7
[M+H-H2O]+ 418.078060 190.5
[M+HCOO]- 480.079001 211.5
[M+CH3COO]- 494.094651 209.7
[M+Na-2H]- 456.055466 203.2
[M]+ 435.08025142 206.4
[M]- 435.08134858 206.4
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.