CID 1892059

618432-29-4

Structural Information

Molecular Formula
C30H25N3O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C5=CC=CC=C5
InChI
InChI=1S/C30H25N3O3S/c1-2-36-23-18-16-22(17-19-23)33-29(35)25-13-7-9-15-27(25)32-30(33)37-20-28(34)31-26-14-8-6-12-24(26)21-10-4-3-5-11-21/h3-19H,2,20H2,1H3,(H,31,34)
InChIKey
DHDQHNFSORHRDD-UHFFFAOYSA-N
Compound name
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.16165 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.16893 223.5
[M+Na]+ 530.15087 230.1
[M-H]- 506.15437 233.5
[M+NH4]+ 525.19547 227.2
[M+K]+ 546.12481 221.5
[M+H-H2O]+ 490.15891 210.1
[M+HCOO]- 552.15985 237.4
[M+CH3COO]- 566.17550 230.0
[M+Na-2H]- 528.13632 225.5
[M]+ 507.16110 227.0
[M]- 507.16220 227.0
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.