CID 408607

Nsc14622

Structural Information

Molecular Formula
C14H16N6O2S
SMILES
C1=CC(=CC=C1N=C(N)N)S(=O)(=O)C2=CC=C(C=C2)N=C(N)N
InChI
InChI=1S/C14H16N6O2S/c15-13(16)19-9-1-5-11(6-2-9)23(21,22)12-7-3-10(4-8-12)20-14(17)18/h1-8H,(H4,15,16,19)(H4,17,18,20)
InChIKey
FHVFWIZSVVQLCS-UHFFFAOYSA-N
Compound name
2-[4-[4-(diaminomethylideneamino)phenyl]sulfonylphenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

332.10553 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11281 172.2
[M+Na]+ 355.09475 177.0
[M-H]- 331.09825 179.4
[M+NH4]+ 350.13935 184.2
[M+K]+ 371.06869 172.9
[M+H-H2O]+ 315.10279 162.8
[M+HCOO]- 377.10373 194.8
[M+CH3COO]- 391.11938 223.9
[M+Na-2H]- 353.08020 175.2
[M]+ 332.10498 167.7
[M]- 332.10608 167.7
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

No patent data available for this compound.