CID 3087603

1h-benzimidazole-2-sulfonamide, n-(3-(4-morpholinyl)propyl)-5-nitro-

Structural Information

Molecular Formula
C14H19N5O5S
SMILES
C1COCCN1CCCNS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H19N5O5S/c20-19(21)11-2-3-12-13(10-11)17-14(16-12)25(22,23)15-4-1-5-18-6-8-24-9-7-18/h2-3,10,15H,1,4-9H2,(H,16,17)
InChIKey
AFSZQGMOGAQNJQ-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-6-nitro-1H-benzimidazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1107 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11798 177.0
[M+Na]+ 392.09992 181.5
[M-H]- 368.10342 179.9
[M+NH4]+ 387.14452 184.7
[M+K]+ 408.07386 173.7
[M+H-H2O]+ 352.10796 173.0
[M+HCOO]- 414.10890 189.3
[M+CH3COO]- 428.12455 203.6
[M+Na-2H]- 390.08537 185.3
[M]+ 369.11015 175.5
[M]- 369.11125 175.5
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.