CID 3055156

72045-67-1

Structural Information

Molecular Formula
C25H22N4O2S
SMILES
CC1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C25H22N4O2S/c1-17-11-13-19(14-12-17)26-25(32)28-22(30)15-16-29-23(18-7-3-2-4-8-18)27-21-10-6-5-9-20(21)24(29)31/h2-14H,15-16H2,1H3,(H2,26,28,30,32)
InChIKey
JPTHPEWIWGEKRL-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)carbamothioyl]-3-(4-oxo-2-phenylquinazolin-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.14636 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.153636 205.5
[M+Na]+ 465.135578 212.0
[M-H]- 441.139084 213.0
[M+NH4]+ 460.180183 212.4
[M+K]+ 481.109518 203.8
[M+H-H2O]+ 425.143620 194.3
[M+HCOO]- 487.144561 220.3
[M+CH3COO]- 501.160211 213.0
[M+Na-2H]- 463.121026 208.2
[M]+ 442.14581142 207.0
[M]- 442.14690858 207.0
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.