CID 1273477

499125-27-8

Structural Information

Molecular Formula
C27H27N3O3S
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4C)C)C
InChI
InChI=1S/C27H27N3O3S/c1-5-33-21-12-10-20(11-13-21)30-26(32)22-8-6-7-9-23(22)28-27(30)34-16-24(31)29-25-18(3)14-17(2)15-19(25)4/h6-15H,5,16H2,1-4H3,(H,29,31)
InChIKey
OIAHKLIWPBDFAT-UHFFFAOYSA-N
Compound name
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.1773 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.18458 217.2
[M+Na]+ 496.16652 225.7
[M-H]- 472.17002 225.3
[M+NH4]+ 491.21112 223.8
[M+K]+ 512.14046 218.1
[M+H-H2O]+ 456.17456 205.5
[M+HCOO]- 518.17550 231.0
[M+CH3COO]- 532.19115 241.3
[M+Na-2H]- 494.15197 216.7
[M]+ 473.17675 223.8
[M]- 473.17785 223.8
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.