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]+ 261.18224 167.4
[M+Na]+ 283.16418 174.9
[M+NH4]+ 278.20878 170.6
[M+K]+ 299.13812 167.2
[M-H]- 259.16768 161.8
[M+Na-2H]- 281.14963 167.7
[M]+ 260.17441 165.6
[M]- 260.17551 165.6
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.