CID 1272964

476486-16-5

Structural Information

Molecular Formula
C25H23N3O2S
SMILES
CCC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C
InChI
InChI=1S/C25H23N3O2S/c1-3-18-8-4-6-10-21(18)26-23(29)16-31-25-27-22-11-7-5-9-20(22)24(30)28(25)19-14-12-17(2)13-15-19/h4-15H,3,16H2,1-2H3,(H,26,29)
InChIKey
WOEMVFJHQQTOBV-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.1511 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.158376 204.3
[M+Na]+ 452.140318 212.5
[M-H]- 428.143824 212.1
[M+NH4]+ 447.184923 212.3
[M+K]+ 468.114258 204.2
[M+H-H2O]+ 412.148360 192.9
[M+HCOO]- 474.149301 218.8
[M+CH3COO]- 488.164951 212.6
[M+Na-2H]- 450.125766 206.0
[M]+ 429.15055142 208.1
[M]- 429.15164858 208.1
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.