CID 1414651

N-[4-(dimethylamino)phenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C25H24N4O3S
SMILES
CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H24N4O3S/c1-28(2)18-10-8-17(9-11-18)26-23(30)16-33-25-27-22-7-5-4-6-21(22)24(31)29(25)19-12-14-20(32-3)15-13-19/h4-15H,16H2,1-3H3,(H,26,30)
InChIKey
VDBQLVYAXHLXIE-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)phenyl]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.15692 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.16420 210.3
[M+Na]+ 483.14614 217.1
[M-H]- 459.14964 219.3
[M+NH4]+ 478.19074 217.0
[M+K]+ 499.12008 211.2
[M+H-H2O]+ 443.15418 198.3
[M+HCOO]- 505.15512 226.3
[M+CH3COO]- 519.17077 218.3
[M+Na-2H]- 481.13159 212.6
[M]+ 460.15637 216.0
[M]- 460.15747 216.0
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.