CID 3063051

99700-08-0

Structural Information

Molecular Formula
C13H20N6
SMILES
CCN1C=NC2=C1CCC(C2)CNC(=NC)NC#N
InChI
InChI=1S/C13H20N6/c1-3-19-9-18-11-6-10(4-5-12(11)19)7-16-13(15-2)17-8-14/h9-10H,3-7H2,1-2H3,(H2,15,16,17)
InChIKey
AXOPMJFQBCKOCF-UHFFFAOYSA-N
Compound name
1-cyano-3-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]-2-methylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.17496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.182236 160.1
[M+Na]+ 283.164178 166.6
[M-H]- 259.167684 161.3
[M+NH4]+ 278.208783 174.7
[M+K]+ 299.138118 162.9
[M+H-H2O]+ 243.172220 144.4
[M+HCOO]- 305.173161 178.2
[M+CH3COO]- 319.188811 215.5
[M+Na-2H]- 281.149626 163.6
[M]+ 260.17441142 152.7
[M]- 260.17550858 152.7
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.