CID 1857227

477332-90-4

Structural Information

Molecular Formula
C29H23N3O2S
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4C5=CC=CC=C5
InChI
InChI=1S/C29H23N3O2S/c1-20-15-17-22(18-16-20)32-28(34)24-12-6-8-14-26(24)31-29(32)35-19-27(33)30-25-13-7-5-11-23(25)21-9-3-2-4-10-21/h2-18H,19H2,1H3,(H,30,33)
InChIKey
UMRXIAJDUDLQRZ-UHFFFAOYSA-N
Compound name
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.1511 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.15838 216.6
[M+Na]+ 500.14032 224.1
[M-H]- 476.14382 226.8
[M+NH4]+ 495.18492 221.8
[M+K]+ 516.11426 214.8
[M+H-H2O]+ 460.14836 203.6
[M+HCOO]- 522.14930 230.7
[M+CH3COO]- 536.16495 223.8
[M+Na-2H]- 498.12577 218.8
[M]+ 477.15055 218.6
[M]- 477.15165 218.6
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.