CID 3055176

72045-76-2

Structural Information

Molecular Formula
C27H26N4O2S
SMILES
CC(C)CC(C(=O)NC(=S)NC1=CC=CC=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C27H26N4O2S/c1-18(2)17-23(25(32)30-27(34)28-20-13-7-4-8-14-20)31-24(19-11-5-3-6-12-19)29-22-16-10-9-15-21(22)26(31)33/h3-16,18,23H,17H2,1-2H3,(H2,28,30,32,34)
InChIKey
QRMUNRUAKYJESN-UHFFFAOYSA-N
Compound name
4-methyl-2-(4-oxo-2-phenylquinazolin-3-yl)-N-(phenylcarbamothioyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.17764 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.18492 209.2
[M+Na]+ 493.16686 222.6
[M+NH4]+ 488.21146 215.2
[M+K]+ 509.14080 213.1
[M-H]- 469.17036 215.5
[M+Na-2H]- 491.15231 218.4
[M]+ 470.17709 213.3
[M]- 470.17819 213.3
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.