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 159.1
[M+Na]+ 278.13761 172.6
[M-H]- 254.14111 169.1
[M+NH4]+ 273.18221 165.9
[M+K]+ 294.11155 164.1
[M+H-H2O]+ 238.14565 150.8
[M+HCOO]- 300.14659 181.0
[M+CH3COO]- 314.16224 220.5
[M+Na-2H]- 276.12306 165.2
[M]+ 255.14784 158.7
[M]- 255.14894 158.7
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.