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

literature stripe

Patent stripe

patents stripe