CID 1543073

477330-40-8

Structural Information

Molecular Formula
C23H17ClN4O3S
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H17ClN4O3S/c24-15-7-11-17(12-8-15)28-22(31)18-3-1-2-4-19(18)27-23(28)32-13-20(29)26-16-9-5-14(6-10-16)21(25)30/h1-12H,13H2,(H2,25,30)(H,26,29)
InChIKey
RBJMNMFFAJVXGD-UHFFFAOYSA-N
Compound name
4-[[2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.07098 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.07826 205.4
[M+Na]+ 487.06020 221.1
[M+NH4]+ 482.10480 211.9
[M+K]+ 503.03414 210.9
[M-H]- 463.06370 211.8
[M+Na-2H]- 485.04565 214.6
[M]+ 464.07043 210.2
[M]- 464.07153 210.2
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.