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 174.6
[M+Na]+ 296.18456 179.7
[M-H]- 272.18806 176.6
[M+NH4]+ 291.22916 187.4
[M+K]+ 312.15850 178.0
[M+H-H2O]+ 256.19260 159.9
[M+HCOO]- 318.19354 192.3
[M+CH3COO]- 332.20919 218.2
[M+Na-2H]- 294.17001 179.7
[M]+ 273.19479 168.4
[M]- 273.19589 168.4
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.