CID 11210451

Tert-butyl 4-((4-bromophenyl)amino)piperidine-1-carboxylate

Structural Information

Molecular Formula
C16H23BrN2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C16H23BrN2O2/c1-16(2,3)21-15(20)19-10-8-14(9-11-19)18-13-6-4-12(17)5-7-13/h4-7,14,18H,8-11H2,1-3H3
InChIKey
ZDCRNXMZSKCKRF-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-bromoanilino)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1959
Patents

354.0943 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.10158 177.8
[M+Na]+ 377.08352 184.8
[M-H]- 353.08702 184.5
[M+NH4]+ 372.12812 192.9
[M+K]+ 393.05746 173.6
[M+H-H2O]+ 337.09156 175.7
[M+HCOO]- 399.09250 192.7
[M+CH3COO]- 413.10815 210.0
[M+Na-2H]- 375.06897 181.3
[M]+ 354.09375 193.4
[M]- 354.09485 193.5
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