CID 3064235

102038-01-7

Structural Information

Molecular Formula
C24H20N2O3S
SMILES
COC(=O)CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4
InChI
InChI=1S/C24H20N2O3S/c1-29-22(27)15-17-11-13-19(14-12-17)26-23(28)20-9-5-6-10-21(20)25-24(26)30-16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
InChIKey
WLRQHEZBYSYMQK-UHFFFAOYSA-N
Compound name
methyl 2-[4-(2-benzylsulfanyl-4-oxoquinazolin-3-yl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.11948 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.12676 197.4
[M+Na]+ 439.10870 215.0
[M+NH4]+ 434.15330 205.1
[M+K]+ 455.08264 203.4
[M-H]- 415.11220 203.9
[M+Na-2H]- 437.09415 207.9
[M]+ 416.11893 202.5
[M]- 416.12003 202.5
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.