CID 3042809

60560-36-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

273.19534 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.20262 173.0
[M+Na]+ 296.18456 180.6
[M+NH4]+ 291.22916 175.5
[M+K]+ 312.15850 172.4
[M-H]- 272.18806 167.1
[M+Na-2H]- 294.17001 175.3
[M]+ 273.19479 171.4
[M]- 273.19589 171.4
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