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

literature stripe

Patent stripe

patents stripe