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 160.1
[M+Na]+ 283.16418 166.6
[M-H]- 259.16768 161.3
[M+NH4]+ 278.20878 174.7
[M+K]+ 299.13812 162.9
[M+H-H2O]+ 243.17222 144.4
[M+HCOO]- 305.17316 178.2
[M+CH3COO]- 319.18881 215.5
[M+Na-2H]- 281.14963 163.6
[M]+ 260.17441 152.7
[M]- 260.17551 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.