CID 36537

33531-52-1

Structural Information

Molecular Formula
C14H19BrN2O2
SMILES
CCN1CCCC(C1)OC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H19BrN2O2/c1-2-17-9-3-4-13(10-17)19-14(18)16-12-7-5-11(15)6-8-12/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)
InChIKey
CDCOFPQIYLPBRQ-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-3-yl) N-(4-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 168.0
[M+Na]+ 349.05222 175.3
[M-H]- 325.05572 174.7
[M+NH4]+ 344.09682 184.0
[M+K]+ 365.02616 164.2
[M+H-H2O]+ 309.06026 165.6
[M+HCOO]- 371.06120 185.0
[M+CH3COO]- 385.07685 204.6
[M+Na-2H]- 347.03767 171.8
[M]+ 326.06245 183.5
[M]- 326.06355 183.5
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

No patent data available for this compound.