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 163.4
[M+Na]+ 283.16418 167.9
[M-H]- 259.16768 166.2
[M+NH4]+ 278.20878 176.6
[M+K]+ 299.13812 166.9
[M+H-H2O]+ 243.17222 147.2
[M+HCOO]- 305.17316 185.9
[M+CH3COO]- 319.18881 220.4
[M+Na-2H]- 281.14963 168.4
[M]+ 260.17441 158.1
[M]- 260.17551 158.1
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.