CID 409374

Nsc20625

Structural Information

Molecular Formula
C14H16N6S2
SMILES
C1=CC=C(C(=C1)N=C(N)N)SSC2=CC=CC=C2N=C(N)N
InChI
InChI=1S/C14H16N6S2/c15-13(16)19-9-5-1-3-7-11(9)21-22-12-8-4-2-6-10(12)20-14(17)18/h1-8H,(H4,15,16,19)(H4,17,18,20)
InChIKey
UUGWBZHJUJKMHH-UHFFFAOYSA-N
Compound name
2-[2-[[2-(diaminomethylideneamino)phenyl]disulfanyl]phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

332.0878 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09508 168.4
[M+Na]+ 355.07702 172.8
[M-H]- 331.08052 174.3
[M+NH4]+ 350.12162 180.7
[M+K]+ 371.05096 165.7
[M+H-H2O]+ 315.08506 158.8
[M+HCOO]- 377.08600 185.5
[M+CH3COO]- 391.10165 224.2
[M+Na-2H]- 353.06247 169.8
[M]+ 332.08725 163.8
[M]- 332.08835 163.8
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.