CID 9574209

Chembl1193026

Structural Information

Molecular Formula
C12H18N8
SMILES
C/C(=N\N=C(N)N)/C1=CC(=CC=C1)/C(=N/N=C(N)N)/C
InChI
InChI=1S/C12H18N8/c1-7(17-19-11(13)14)9-4-3-5-10(6-9)8(2)18-20-12(15)16/h3-6H,1-2H3,(H4,13,14,19)(H4,15,16,20)/b17-7+,18-8+
InChIKey
OEBLRFIWEVKLAD-ZEELXFFVSA-N
Compound name
2-[(E)-1-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

274.16544 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17272 164.6
[M+Na]+ 297.15466 167.1
[M-H]- 273.15816 171.6
[M+NH4]+ 292.19926 179.4
[M+K]+ 313.12860 167.5
[M+H-H2O]+ 257.16270 154.5
[M+HCOO]- 319.16364 195.9
[M+CH3COO]- 333.17929 228.1
[M+Na-2H]- 295.14011 165.8
[M]+ 274.16489 157.9
[M]- 274.16599 157.9
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.