CID 3018732

77582-39-9

Structural Information

Molecular Formula
C23H36N2O2
SMILES
CCCCCCCCCCCCCCCC1=NC2=C(N1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C23H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-24-20-17-16-19(23(26)27)18-21(20)25-22/h16-18H,2-15H2,1H3,(H,24,25)(H,26,27)
InChIKey
SWSLUNUYJRKPMS-UHFFFAOYSA-N
Compound name
2-pentadecyl-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

372.27768 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.284956 198.1
[M+Na]+ 395.266898 202.4
[M-H]- 371.270404 195.7
[M+NH4]+ 390.311503 209.2
[M+K]+ 411.240838 195.3
[M+H-H2O]+ 355.274940 189.0
[M+HCOO]- 417.275881 213.8
[M+CH3COO]- 431.291531 216.7
[M+Na-2H]- 393.252346 196.8
[M]+ 372.27713142 203.3
[M]- 372.27822858 203.3
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

patents stripe