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]+ 320.23326 179.8
[M+Na]+ 342.21520 183.3
[M-H]- 318.21870 185.3
[M+NH4]+ 337.25980 192.8
[M+K]+ 358.18914 181.7
[M+H-H2O]+ 302.22324 171.2
[M+HCOO]- 364.22418 197.2
[M+CH3COO]- 378.23983 216.6
[M+Na-2H]- 340.20065 179.6
[M]+ 319.22543 177.4
[M]- 319.22653 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