CID 1273456

473698-70-3

Structural Information

Molecular Formula
C25H23N3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC=C4C)C
InChI
InChI=1S/C25H23N3O2S/c1-16-11-13-19(14-12-16)28-24(30)20-9-4-5-10-21(20)26-25(28)31-15-22(29)27-23-17(2)7-6-8-18(23)3/h4-14H,15H2,1-3H3,(H,27,29)
InChIKey
BIOJWACKOBIXHZ-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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]+ 430.15838 205.0
[M+Na]+ 452.14032 214.0
[M-H]- 428.14382 213.2
[M+NH4]+ 447.18492 213.3
[M+K]+ 468.11426 205.9
[M+H-H2O]+ 412.14836 193.8
[M+HCOO]- 474.14930 219.5
[M+CH3COO]- 488.16495 213.7
[M+Na-2H]- 450.12577 206.0
[M]+ 429.15055 209.3
[M]- 429.15165 209.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.