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]+ 430.15838 204.3
[M+Na]+ 452.14032 212.5
[M-H]- 428.14382 212.1
[M+NH4]+ 447.18492 212.3
[M+K]+ 468.11426 204.2
[M+H-H2O]+ 412.14836 192.9
[M+HCOO]- 474.14930 218.8
[M+CH3COO]- 488.16495 212.6
[M+Na-2H]- 450.12577 206.0
[M]+ 429.15055 208.1
[M]- 429.15165 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.