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]+ 304.201946 173.9
[M+Na]+ 326.183888 176.2
[M-H]- 302.187394 177.3
[M+NH4]+ 321.228493 187.9
[M+K]+ 342.157828 173.1
[M+H-H2O]+ 286.191930 165.3
[M+HCOO]- 348.192871 191.9
[M+CH3COO]- 362.208521 208.3
[M+Na-2H]- 324.169336 175.4
[M]+ 303.19412142 168.7
[M]- 303.19521858 168.7
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.