CID 109864

1h-benzimidazolesulfonic acid, 2-heptadecyl-

Structural Information

Molecular Formula
C24H40N2O3S
SMILES
CCCCCCCCCCCCCCCCCC1=NC2=C(N1)C=CC=C2S(=O)(=O)O
InChI
InChI=1S/C24H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-21-18-17-19-22(24(21)26-23)30(27,28)29/h17-19H,2-16,20H2,1H3,(H,25,26)(H,27,28,29)
InChIKey
IYPGVIQTKUUMCD-UHFFFAOYSA-N
Compound name
2-heptadecyl-1H-benzimidazole-4-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

436.27597 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.28325 212.1
[M+Na]+ 459.26519 220.6
[M+NH4]+ 454.30979 216.1
[M+K]+ 475.23913 212.6
[M-H]- 435.26869 210.2
[M+Na-2H]- 457.25064 212.4
[M]+ 436.27542 213.0
[M]- 436.27652 213.0
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