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 213.8
[M-H]- 463.06370 213.0
[M+NH4]+ 482.10480 212.1
[M+K]+ 503.03414 205.6
[M+H-H2O]+ 447.06824 195.4
[M+HCOO]- 509.06918 216.0
[M+CH3COO]- 523.08483 213.3
[M+Na-2H]- 485.04565 207.4
[M]+ 464.07043 209.9
[M]- 464.07153 209.9
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.