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

literature stripe

Patent stripe

patents stripe