CID 10105958

N-[(e)-({3-[(e)-(carbamimidamidoimino)methyl]phenyl}methylidene)amino]guanidine dihydrochloride

Structural Information

Molecular Formula
C10H14N8
SMILES
C1=CC(=CC(=C1)/C=N/N=C(N)N)/C=N/N=C(N)N
InChI
InChI=1S/C10H14N8/c11-9(12)17-15-5-7-2-1-3-8(4-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/b15-5+,16-6+
InChIKey
XMHHBYPIBVIERY-IAGONARPSA-N
Compound name
2-[(E)-[3-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

246.13414 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14142 151.6
[M+Na]+ 269.12336 155.5
[M-H]- 245.12686 158.8
[M+NH4]+ 264.16796 167.6
[M+K]+ 285.09730 155.0
[M+H-H2O]+ 229.13140 141.7
[M+HCOO]- 291.13234 185.6
[M+CH3COO]- 305.14799 220.3
[M+Na-2H]- 267.10881 156.6
[M]+ 246.13359 145.5
[M]- 246.13469 145.5
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.