CID 43354

2-cyano-1-(1-ethylpropyl)-3-(4-pyridyl)guanidine

Structural Information

Molecular Formula
C12H17N5
SMILES
CCC(CC)N=C(NC#N)NC1=CC=NC=C1
InChI
InChI=1S/C12H17N5/c1-3-10(4-2)16-12(15-9-13)17-11-5-7-14-8-6-11/h5-8,10H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKey
VGHPQIPBJLTPBL-UHFFFAOYSA-N
Compound name
1-cyano-2-pentan-3-yl-3-pyridin-4-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

231.14839 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15567 161.2
[M+Na]+ 254.13761 169.7
[M+NH4]+ 249.18221 164.4
[M+K]+ 270.11155 160.5
[M-H]- 230.14111 156.3
[M+Na-2H]- 252.12306 164.0
[M]+ 231.14784 159.8
[M]- 231.14894 159.8
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

patents stripe