CID 3042810

60560-37-4

Structural Information

Molecular Formula
C15H23N5
SMILES
CC(C)CCCC(C)N=C(NC#N)NC1=CC=NC=C1
InChI
InChI=1S/C15H23N5/c1-12(2)5-4-6-13(3)19-15(18-11-16)20-14-7-9-17-10-8-14/h7-10,12-13H,4-6H2,1-3H3,(H2,17,18,19,20)
InChIKey
AJFDFHOQTFXNCO-UHFFFAOYSA-N
Compound name
1-cyano-2-(6-methylheptan-2-yl)-3-pyridin-4-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

273.19534 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.20262 170.5
[M+Na]+ 296.18456 174.5
[M-H]- 272.18806 171.9
[M+NH4]+ 291.22916 182.9
[M+K]+ 312.15850 172.5
[M+H-H2O]+ 256.19260 154.7
[M+HCOO]- 318.19354 189.4
[M+CH3COO]- 332.20919 219.7
[M+Na-2H]- 294.17001 172.5
[M]+ 273.19479 164.3
[M]- 273.19589 164.3
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.