CID 3042802

Guanidine, 2-cyano-1-heptyl-3-(3-pyridyl)-

Structural Information

Molecular Formula
C14H21N5
SMILES
CCCCCCCN=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C14H21N5/c1-2-3-4-5-6-10-17-14(18-12-15)19-13-8-7-9-16-11-13/h7-9,11H,2-6,10H2,1H3,(H2,17,18,19)
InChIKey
YQCMJXODNUFPHT-UHFFFAOYSA-N
Compound name
1-cyano-2-heptyl-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

259.1797 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.18698 162.6
[M+Na]+ 282.16892 167.5
[M-H]- 258.17242 164.0
[M+NH4]+ 277.21352 175.7
[M+K]+ 298.14286 164.8
[M+H-H2O]+ 242.17696 146.8
[M+HCOO]- 304.17790 183.6
[M+CH3COO]- 318.19355 215.5
[M+Na-2H]- 280.15437 167.6
[M]+ 259.17915 157.3
[M]- 259.18025 157.3
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