CID 378505

Nsc661105

Structural Information

Molecular Formula
C11H18N8O2S2
SMILES
CNNC1=CC(=C(C=C1C#N)S(=O)(=O)N=C(NNC)NNC)S
InChI
InChI=1S/C11H18N8O2S2/c1-13-16-8-5-9(22)10(4-7(8)6-12)23(20,21)19-11(17-14-2)18-15-3/h4-5,13-16,22H,1-3H3,(H2,17,18,19)
InChIKey
YUHHOIVGOZTQSR-UHFFFAOYSA-N
Compound name
2-[5-cyano-4-(2-methylhydrazinyl)-2-sulfanylphenyl]sulfonyl-1,3-bis(methylamino)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.09943 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10671 187.0
[M+Na]+ 381.08865 191.4
[M-H]- 357.09215 190.1
[M+NH4]+ 376.13325 196.7
[M+K]+ 397.06259 189.3
[M+H-H2O]+ 341.09669 171.4
[M+HCOO]- 403.09763 200.5
[M+CH3COO]- 417.11328 236.9
[M+Na-2H]- 379.07410 190.2
[M]+ 358.09888 181.0
[M]- 358.09998 181.0
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.