CID 3042803

60560-25-0

Structural Information

Molecular Formula
C15H23N5
SMILES
CCCCC(CC)CN=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C15H23N5/c1-3-5-7-13(4-2)10-18-15(19-12-16)20-14-8-6-9-17-11-14/h6,8-9,11,13H,3-5,7,10H2,1-2H3,(H2,18,19,20)
InChIKey
OERBLOPYVWZMRH-UHFFFAOYSA-N
Compound name
1-cyano-2-(2-ethylhexyl)-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

273.19534 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.20262 168.5
[M+Na]+ 296.18456 172.8
[M-H]- 272.18806 169.9
[M+NH4]+ 291.22916 181.0
[M+K]+ 312.15850 170.3
[M+H-H2O]+ 256.19260 152.7
[M+HCOO]- 318.19354 188.3
[M+CH3COO]- 332.20919 218.9
[M+Na-2H]- 294.17001 171.8
[M]+ 273.19479 162.9
[M]- 273.19589 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.