CID 3087597

1h-benzimidazole-2-sulfonamide, n-(2-(4-morpholinyl)ethyl)-

Structural Information

Molecular Formula
C13H18N4O3S
SMILES
C1COCCN1CCNS(=O)(=O)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H18N4O3S/c18-21(19,14-5-6-17-7-9-20-10-8-17)13-15-11-3-1-2-4-12(11)16-13/h1-4,14H,5-10H2,(H,15,16)
InChIKey
TZFXGJYTFVEHLV-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-1H-benzimidazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.10995 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11723 167.0
[M+Na]+ 333.09917 174.2
[M-H]- 309.10267 169.7
[M+NH4]+ 328.14377 178.4
[M+K]+ 349.07311 170.3
[M+H-H2O]+ 293.10721 159.0
[M+HCOO]- 355.10815 178.9
[M+CH3COO]- 369.12380 176.7
[M+Na-2H]- 331.08462 172.4
[M]+ 310.10940 167.2
[M]- 310.11050 167.2
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.