CID 1978885

573972-12-0

Structural Information

Molecular Formula
C26H25N3O3S
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C26H25N3O3S/c1-16-13-17(2)24(18(3)14-16)28-23(30)15-33-26-27-22-8-6-5-7-21(22)25(31)29(26)19-9-11-20(32-4)12-10-19/h5-14H,15H2,1-4H3,(H,28,30)
InChIKey
VEPLBRNLTNITBQ-UHFFFAOYSA-N
Compound name
2-[3-(4-methoxyphenyl)-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

459.16165 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.16893 213.1
[M+Na]+ 482.15087 222.0
[M-H]- 458.15437 221.3
[M+NH4]+ 477.19547 220.2
[M+K]+ 498.12481 214.6
[M+H-H2O]+ 442.15891 201.5
[M+HCOO]- 504.15985 227.2
[M+CH3COO]- 518.17550 221.3
[M+Na-2H]- 480.13632 213.0
[M]+ 459.16110 219.4
[M]- 459.16220 219.4
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.