CID 1242306

710988-46-8

Structural Information

Molecular Formula
C24H18ClN3O4S
SMILES
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H18ClN3O4S/c1-32-23(31)15-6-10-17(11-7-15)26-21(29)14-33-24-27-20-5-3-2-4-19(20)22(30)28(24)18-12-8-16(25)9-13-18/h2-13H,14H2,1H3,(H,26,29)
InChIKey
DORRUFRFLCIVIX-UHFFFAOYSA-N
Compound name
methyl 4-[[2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.07065 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.07793 209.4
[M+Na]+ 502.05987 226.0
[M+NH4]+ 497.10447 215.8
[M+K]+ 518.03381 215.3
[M-H]- 478.06337 215.2
[M+Na-2H]- 500.04532 218.6
[M]+ 479.07010 214.2
[M]- 479.07120 214.2
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.