CID 490810

Schembl14032308

Structural Information

Molecular Formula
C22H26N4O2
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC4CCNC4)N=C2C5=COC=C5
InChI
InChI=1S/C22H26N4O2/c27-22(24-17-8-10-23-13-17)15-6-7-20-19(12-15)25-21(16-9-11-28-14-16)26(20)18-4-2-1-3-5-18/h6-7,9,11-12,14,17-18,23H,1-5,8,10,13H2,(H,24,27)
InChIKey
VYDYRZMFQQONNY-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

378.20557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 185.9
[M+Na]+ 401.19479 189.5
[M-H]- 377.19829 195.2
[M+NH4]+ 396.23939 196.7
[M+K]+ 417.16873 185.1
[M+H-H2O]+ 361.20283 176.4
[M+HCOO]- 423.20377 201.0
[M+CH3COO]- 437.21942 194.2
[M+Na-2H]- 399.18024 181.9
[M]+ 378.20502 181.0
[M]- 378.20612 181.0
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

patents stripe