CID 3055154

Brn 0726843

Structural Information

Molecular Formula
C25H22N4O2S
SMILES
CC1=CC=CC=C1NC(=S)NC(=O)CCN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C25H22N4O2S/c1-17-9-5-7-13-20(17)27-25(32)28-22(30)15-16-29-23(18-10-3-2-4-11-18)26-21-14-8-6-12-19(21)24(29)31/h2-14H,15-16H2,1H3,(H2,27,28,30,32)
InChIKey
DJLYSVUGKJYESW-UHFFFAOYSA-N
Compound name
N-[(2-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]+ 443.15364 203.7
[M+Na]+ 465.13558 218.6
[M+NH4]+ 460.18018 210.3
[M+K]+ 481.10952 207.9
[M-H]- 441.13908 210.5
[M+Na-2H]- 463.12103 213.6
[M]+ 442.14581 208.2
[M]- 442.14691 208.2
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.