CID 142621487

Tert-butyl n-(1-(4-amino-2-methylphenyl)piperidin-4-yl)-n-methylcarbamate

Structural Information

Molecular Formula
C18H29N3O2
SMILES
CC1=C(C=CC(=C1)N)N2CCC(CC2)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H29N3O2/c1-13-12-14(19)6-7-16(13)21-10-8-15(9-11-21)20(5)17(22)23-18(2,3)4/h6-7,12,15H,8-11,19H2,1-5H3
InChIKey
PRWALVNVYRCYBA-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(4-amino-2-methylphenyl)piperidin-4-yl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.22598 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.233256 179.8
[M+Na]+ 342.215198 183.3
[M-H]- 318.218704 185.3
[M+NH4]+ 337.259803 192.8
[M+K]+ 358.189138 181.7
[M+H-H2O]+ 302.223240 171.2
[M+HCOO]- 364.224181 197.2
[M+CH3COO]- 378.239831 216.6
[M+Na-2H]- 340.200646 179.6
[M]+ 319.22543142 177.4
[M]- 319.22652858 177.4
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