CID 49760176

(4-phenylpiperidin-4-ylmethyl)carbamic acid tert-butyl ester

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC(C)(C)OC(=O)NCC1(CCNCC1)C2=CC=CC=C2
InChI
InChI=1S/C17H26N2O2/c1-16(2,3)21-15(20)19-13-17(9-11-18-12-10-17)14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3,(H,19,20)
InChIKey
ZCLBJFOUCSBWAR-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-phenylpiperidin-4-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

290.19943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 172.2
[M+Na]+ 313.18865 174.7
[M-H]- 289.19215 174.8
[M+NH4]+ 308.23325 186.8
[M+K]+ 329.16259 171.5
[M+H-H2O]+ 273.19669 164.6
[M+HCOO]- 335.19763 187.6
[M+CH3COO]- 349.21328 199.1
[M+Na-2H]- 311.17410 176.6
[M]+ 290.19888 167.2
[M]- 290.19998 167.2
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

patents stripe