CID 3370705

Mls003106479

Structural Information

Molecular Formula
C9H11N3O2S2
SMILES
CNS(=O)(=O)C1=CC2=C(C=C1)N(C(=S)N2)C
InChI
InChI=1S/C9H11N3O2S2/c1-10-16(13,14)6-3-4-8-7(5-6)11-9(15)12(8)2/h3-5,10H,1-2H3,(H,11,15)
InChIKey
QORHKAJQSDTLPQ-UHFFFAOYSA-N
Compound name
N,1-dimethyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

257.02927 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03655 153.4
[M+Na]+ 280.01849 166.0
[M-H]- 256.02199 155.2
[M+NH4]+ 275.06309 171.1
[M+K]+ 295.99243 159.4
[M+H-H2O]+ 240.02653 148.3
[M+HCOO]- 302.02747 165.5
[M+CH3COO]- 316.04312 190.3
[M+Na-2H]- 278.00394 156.9
[M]+ 257.02872 157.4
[M]- 257.02982 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe