CID 3055161

Brn 0725904

Structural Information

Molecular Formula
C26H24N4O2S
SMILES
CC(C)C(C(=O)NC(=S)NC1=CC=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C26H24N4O2S/c1-17(2)22(24(31)29-26(33)27-19-13-7-4-8-14-19)30-23(18-11-5-3-6-12-18)28-21-16-10-9-15-20(21)25(30)32/h3-17,22H,1-2H3,(H2,27,29,31,33)
InChIKey
GSESPFGTERCKHU-UHFFFAOYSA-N
Compound name
3-methyl-2-(4-oxo-2-phenylquinazolin-3-yl)-N-(phenylcarbamothioyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.162 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.16928 208.0
[M+Na]+ 479.15122 212.3
[M-H]- 455.15472 215.0
[M+NH4]+ 474.19582 213.7
[M+K]+ 495.12516 205.3
[M+H-H2O]+ 439.15926 196.9
[M+HCOO]- 501.16020 220.4
[M+CH3COO]- 515.17585 214.5
[M+Na-2H]- 477.13667 209.2
[M]+ 456.16145 208.4
[M]- 456.16255 208.4
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.