CID 36538

33531-53-2

Structural Information

Molecular Formula
C14H19BrN2O2
SMILES
CCN1CCCC(C1)OC(=O)NC2=CC(=CC=C2)Br
InChI
InChI=1S/C14H19BrN2O2/c1-2-17-8-4-7-13(10-17)19-14(18)16-12-6-3-5-11(15)9-12/h3,5-6,9,13H,2,4,7-8,10H2,1H3,(H,16,18)
InChIKey
DMBFFBKRQNVNGD-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-3-yl) N-(3-bromophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.063 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07028 167.3
[M+Na]+ 349.05222 168.9
[M+NH4]+ 344.09682 171.1
[M+K]+ 365.02616 168.6
[M-H]- 325.05572 168.9
[M+Na-2H]- 347.03767 170.1
[M]+ 326.06245 166.6
[M]- 326.06355 166.6
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.