CID 3064378

102071-86-3

Structural Information

Molecular Formula
C14H19BrN2O
SMILES
CC(C(=O)NC1CCN(CC1)C2=CC=CC=C2)Br
InChI
InChI=1S/C14H19BrN2O/c1-11(15)14(18)16-12-7-9-17(10-8-12)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,18)
InChIKey
XBVWKRFXQUPZSI-UHFFFAOYSA-N
Compound name
2-bromo-N-(1-phenylpiperidin-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.06808 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07536 165.9
[M+Na]+ 333.05730 172.1
[M-H]- 309.06080 172.3
[M+NH4]+ 328.10190 182.1
[M+K]+ 349.03124 160.8
[M+H-H2O]+ 293.06534 163.6
[M+HCOO]- 355.06628 181.7
[M+CH3COO]- 369.08193 203.0
[M+Na-2H]- 331.04275 169.1
[M]+ 310.06753 179.2
[M]- 310.06863 179.2
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.