CID 13481186

103607-58-5

Structural Information

Molecular Formula
C18H28N4O2
SMILES
CC(C)NCC(COC1=NC=CC(=C1C#N)NC2CCCCC2)O
InChI
InChI=1S/C18H28N4O2/c1-13(2)21-11-15(23)12-24-18-16(10-19)17(8-9-20-18)22-14-6-4-3-5-7-14/h8-9,13-15,21,23H,3-7,11-12H2,1-2H3,(H,20,22)
InChIKey
ZVOCJXSAOAQCBZ-UHFFFAOYSA-N
Compound name
4-(cyclohexylamino)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.22122 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.22850 179.9
[M+Na]+ 355.21044 183.1
[M-H]- 331.21394 181.1
[M+NH4]+ 350.25504 189.1
[M+K]+ 371.18438 179.0
[M+H-H2O]+ 315.21848 164.4
[M+HCOO]- 377.21942 193.0
[M+CH3COO]- 391.23507 223.5
[M+Na-2H]- 353.19589 179.6
[M]+ 332.22067 170.7
[M]- 332.22177 170.7
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.