CID 48872

Brn 0420125

Structural Information

Molecular Formula
C14H17N5
SMILES
C1CC1C(C2CC2)N=C(NC#N)NC3=CC=NC=C3
InChI
InChI=1S/C14H17N5/c15-9-17-14(18-12-5-7-16-8-6-12)19-13(10-1-2-10)11-3-4-11/h5-8,10-11,13H,1-4H2,(H2,16,17,18,19)
InChIKey
COPYKSIZDOAKRW-UHFFFAOYSA-N
Compound name
1-cyano-2-(dicyclopropylmethyl)-3-pyridin-4-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

255.14839 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15567 145.3
[M+Na]+ 278.13761 155.3
[M+NH4]+ 273.18221 150.1
[M+K]+ 294.11155 151.0
[M-H]- 254.14111 154.2
[M+Na-2H]- 276.12306 154.6
[M]+ 255.14784 150.1
[M]- 255.14894 150.1
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.