CID 9574367

Nsc87438

Structural Information

Molecular Formula
C11H17N11O2S
SMILES
C/C(=N\N=C(N)N)/C(=N/N=C(N)N)/N=NC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C11H17N11O2S/c1-6(17-21-10(12)13)9(20-22-11(14)15)19-18-7-2-4-8(5-3-7)25(16,23)24/h2-5H,1H3,(H4,12,13,21)(H4,14,15,22)(H2,16,23,24)/b17-6+,19-18?,20-9-
InChIKey
MTFAXSLHAJSVJC-DKEYSJRNSA-N
Compound name
(2E)-N'-(diaminomethylideneamino)-2-(diaminomethylidenehydrazinylidene)-N-(4-sulfamoylphenyl)iminopropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.12875 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.13603 175.7
[M+Na]+ 390.11797 177.3
[M-H]- 366.12147 183.9
[M+NH4]+ 385.16257 186.4
[M+K]+ 406.09191 178.3
[M+H-H2O]+ 350.12601 163.6
[M+HCOO]- 412.12695 204.9
[M+CH3COO]- 426.14260 249.7
[M+Na-2H]- 388.10342 179.4
[M]+ 367.12820 170.5
[M]- 367.12930 170.5
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.