CID 6332465

Schembl6743841

Structural Information

Molecular Formula
C11H17N9
SMILES
C/C(=N\N=C(N)N)/C1=NC(=CC=C1)/C(=N/N=C(N)N)/C
InChI
InChI=1S/C11H17N9/c1-6(17-19-10(12)13)8-4-3-5-9(16-8)7(2)18-20-11(14)15/h3-5H,1-2H3,(H4,12,13,19)(H4,14,15,20)/b17-6+,18-7+
InChIKey
WUMBAJNOZBGXMF-PGUOUAKWSA-N
Compound name
2-[(E)-1-[6-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

275.1607 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.16798 163.4
[M+Na]+ 298.14992 166.4
[M-H]- 274.15342 169.5
[M+NH4]+ 293.19452 177.0
[M+K]+ 314.12386 166.9
[M+H-H2O]+ 258.15796 152.8
[M+HCOO]- 320.15890 194.0
[M+CH3COO]- 334.17455 227.8
[M+Na-2H]- 296.13537 165.9
[M]+ 275.16015 157.0
[M]- 275.16125 157.0
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