CID 56852

95022-51-8

Structural Information

Molecular Formula
C17H25N3O2
SMILES
CCOC(=O)C1(CCN(CC1)CCC(=N)N)C2=CC=CC=C2
InChI
InChI=1S/C17H25N3O2/c1-2-22-16(21)17(14-6-4-3-5-7-14)9-12-20(13-10-17)11-8-15(18)19/h3-7H,2,8-13H2,1H3,(H3,18,19)
InChIKey
ORHCAULCTKGYLZ-UHFFFAOYSA-N
Compound name
ethyl 1-(3-amino-3-iminopropyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.19467 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20195 174.3
[M+Na]+ 326.18389 182.7
[M+NH4]+ 321.22849 181.7
[M+K]+ 342.15783 175.2
[M-H]- 302.18739 177.2
[M+Na-2H]- 324.16934 180.6
[M]+ 303.19412 176.0
[M]- 303.19522 176.0
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.