CID 3012652

1-cyclohexyl-2-(3-furyl)-n-((1r)-2-{[4-(3-furyl)phenyl]amino}-1-methyl-2-oxoethyl)-1h-benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C31H30N4O4
SMILES
C[C@H](C(=O)NC1=CC=C(C=C1)C2=COC=C2)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6
InChI
InChI=1S/C31H30N4O4/c1-20(30(36)33-25-10-7-21(8-11-25)23-13-15-38-18-23)32-31(37)22-9-12-28-27(17-22)34-29(24-14-16-39-19-24)35(28)26-5-3-2-4-6-26/h7-20,26H,2-6H2,1H3,(H,32,37)(H,33,36)/t20-/m1/s1
InChIKey
ULJLBSXOWZJERE-HXUWFJFHSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[(2R)-1-[4-(furan-3-yl)anilino]-1-oxopropan-2-yl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.2267 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.23398 219.0
[M+Na]+ 545.21592 222.1
[M-H]- 521.21942 235.4
[M+NH4]+ 540.26052 223.7
[M+K]+ 561.18986 219.7
[M+H-H2O]+ 505.22396 209.7
[M+HCOO]- 567.22490 237.4
[M+CH3COO]- 581.24055 226.6
[M+Na-2H]- 543.20137 214.7
[M]+ 522.22615 220.9
[M]- 522.22725 220.9
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.