CID 415345

(2e,2'e)-2,2'-(2,5-dihydroxycyclohexa-2,5-diene-1,4-diylidene)dihydrazinecarboximidamide

Structural Information

Molecular Formula
C8H12N8O2
SMILES
C1=C(C(=CC(=C1O)N=NC(=N)N)O)NN=C(N)N
InChI
InChI=1S/C8H12N8O2/c9-7(10)15-13-3-1-5(17)4(2-6(3)18)14-16-8(11)12/h1-2,13,17-18H,(H3,11,12)(H4,9,10,15)
InChIKey
CXMHOKVZNMMKKF-UHFFFAOYSA-N
Compound name
1-[4-[2-(diaminomethylidene)hydrazinyl]-2,5-dihydroxyphenyl]iminoguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.10832 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11560 150.3
[M+Na]+ 275.09754 155.0
[M-H]- 251.10104 154.9
[M+NH4]+ 270.14214 164.6
[M+K]+ 291.07148 154.8
[M+H-H2O]+ 235.10558 141.2
[M+HCOO]- 297.10652 181.2
[M+CH3COO]- 311.12217 217.4
[M+Na-2H]- 273.08299 154.4
[M]+ 252.10777 143.2
[M]- 252.10887 143.2
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.