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]+ 256.155666 159.1
[M+Na]+ 278.137608 172.6
[M-H]- 254.141114 169.1
[M+NH4]+ 273.182213 165.9
[M+K]+ 294.111548 164.1
[M+H-H2O]+ 238.145650 150.8
[M+HCOO]- 300.146591 181.0
[M+CH3COO]- 314.162241 220.5
[M+Na-2H]- 276.123056 165.2
[M]+ 255.14784142 158.7
[M]- 255.14893858 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.