CID 131954716

1,2,5-thiadiazole-3,4-diamine, n-((2-(((2-((dimethylamino)methyl)-1h-benzimidazol-5-yl)methyl)thio)ethyl)-, 1-oxide

Structural Information

Molecular Formula
C15H21N7OS2
SMILES
CN(C)CC1=NC2=C(N1)C=C(C=C2)CSCCNC3=NS(=O)N=C3N
InChI
InChI=1S/C15H21N7OS2/c1-22(2)8-13-18-11-4-3-10(7-12(11)19-13)9-24-6-5-17-15-14(16)20-25(23)21-15/h3-4,7H,5-6,8-9H2,1-2H3,(H2,16,20)(H,17,21)(H,18,19)
InChIKey
WGFXNQMXPRDBKW-UHFFFAOYSA-N
Compound name
3-N-[2-[[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]methylsulfanyl]ethyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1249 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13218 180.6
[M+Na]+ 402.11412 191.2
[M-H]- 378.11762 184.4
[M+NH4]+ 397.15872 192.8
[M+K]+ 418.08806 184.4
[M+H-H2O]+ 362.12216 173.4
[M+HCOO]- 424.12310 194.1
[M+CH3COO]- 438.13875 190.5
[M+Na-2H]- 400.09957 180.9
[M]+ 379.12435 186.4
[M]- 379.12545 186.4
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.