CID 3087599

115243-15-7

Structural Information

Molecular Formula
C16H25ClN4O2S
SMILES
CCN(CC)CCCC(C)NS(=O)(=O)C1=NC2=C(N1)C=C(C=C2)Cl
InChI
InChI=1S/C16H25ClN4O2S/c1-4-21(5-2)10-6-7-12(3)20-24(22,23)16-18-14-9-8-13(17)11-15(14)19-16/h8-9,11-12,20H,4-7,10H2,1-3H3,(H,18,19)
InChIKey
FDAUDXSXPZWFPF-UHFFFAOYSA-N
Compound name
6-chloro-N-[5-(diethylamino)pentan-2-yl]-1H-benzimidazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

372.13867 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14595 187.0
[M+Na]+ 395.12789 194.5
[M-H]- 371.13139 189.2
[M+NH4]+ 390.17249 200.6
[M+K]+ 411.10183 189.0
[M+H-H2O]+ 355.13593 180.1
[M+HCOO]- 417.13687 198.1
[M+CH3COO]- 431.15252 218.8
[M+Na-2H]- 393.11334 188.6
[M]+ 372.13812 194.7
[M]- 372.13922 194.7
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