CID 9824145

Ispronicline

Structural Information

Molecular Formula
C14H22N2O
SMILES
C[C@@H](C/C=C/C1=CC(=CN=C1)OC(C)C)NC
InChI
InChI=1S/C14H22N2O/c1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h5,7-12,15H,6H2,1-4H3/b7-5+/t12-/m0/s1
InChIKey
RPCVIAXDAUMJJP-PZBABLGHSA-N
Compound name
(E,2S)-N-methyl-5-(5-propan-2-yloxypyridin-3-yl)pent-4-en-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

2523
Patents

234.17322 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 157.8
[M+Na]+ 257.16244 168.5
[M+NH4]+ 252.20704 164.8
[M+K]+ 273.13638 162.1
[M-H]- 233.16594 159.3
[M+Na-2H]- 255.14789 163.0
[M]+ 234.17267 159.5
[M]- 234.17377 159.5
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