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 212.1
[M+Na]+ 493.16686 215.9
[M-H]- 469.17036 218.9
[M+NH4]+ 488.21146 217.2
[M+K]+ 509.14080 208.7
[M+H-H2O]+ 453.17490 200.8
[M+HCOO]- 515.17584 224.2
[M+CH3COO]- 529.19149 218.2
[M+Na-2H]- 491.15231 212.8
[M]+ 470.17709 212.8
[M]- 470.17819 212.8
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.