CID 48866

Brn 0419149

Structural Information

Molecular Formula
C13H20N6
SMILES
CCN(CC)CCN=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C13H20N6/c1-3-19(4-2)9-8-16-13(17-11-14)18-12-6-5-7-15-10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H2,16,17,18)
InChIKey
HUEOMNMLMZBNKJ-UHFFFAOYSA-N
Compound name
1-cyano-2-[2-(diethylamino)ethyl]-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

260.17496 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18224 169.7
[M+Na]+ 283.16418 177.3
[M+NH4]+ 278.20878 172.6
[M+K]+ 299.13812 168.0
[M-H]- 259.16768 165.5
[M+Na-2H]- 281.14963 172.4
[M]+ 260.17441 168.4
[M]- 260.17551 168.4
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

No patent data available for this compound.