CID 490825

1-cyclohexyl-n-[4-(2,4-dioxo-1h-quinazolin-3-yl)cyclohexyl]-2-(3-furyl)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C32H33N5O4
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N5C(=O)C6=CC=CC=C6NC5=O)N=C2C7=COC=C7
InChI
InChI=1S/C32H33N5O4/c38-30(33-22-11-13-24(14-12-22)37-31(39)25-8-4-5-9-26(25)35-32(37)40)20-10-15-28-27(18-20)34-29(21-16-17-41-19-21)36(28)23-6-2-1-3-7-23/h4-5,8-10,15-19,22-24H,1-3,6-7,11-14H2,(H,33,38)(H,35,40)
InChIKey
KZKNEXXRMIJDKZ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[4-(2,4-dioxo-1H-quinazolin-3-yl)cyclohexyl]-2-(furan-3-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.25323 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.26051 226.7
[M+Na]+ 574.24245 231.2
[M-H]- 550.24595 238.3
[M+NH4]+ 569.28705 227.4
[M+K]+ 590.21639 223.9
[M+H-H2O]+ 534.25049 213.4
[M+HCOO]- 596.25143 236.5
[M+CH3COO]- 610.26708 231.5
[M+Na-2H]- 572.22790 222.1
[M]+ 551.25268 222.9
[M]- 551.25378 222.9
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.