CID 30053

2-piperidinoethyl 2,6-dibromocarbanilate hydrochloride

Structural Information

Molecular Formula
C14H18Br2N2O2
SMILES
C1CCN(CC1)CCOC(=O)NC2=C(C=CC=C2Br)Br
InChI
InChI=1S/C14H18Br2N2O2/c15-11-5-4-6-12(16)13(11)17-14(19)20-10-9-18-7-2-1-3-8-18/h4-6H,1-3,7-10H2,(H,17,19)
InChIKey
KCNBOZQGYYGZJA-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(2,6-dibromophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.9735 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.98078 167.2
[M+Na]+ 426.96272 173.7
[M-H]- 402.96622 173.9
[M+NH4]+ 422.00732 181.1
[M+K]+ 442.93666 158.3
[M+H-H2O]+ 386.97076 173.1
[M+HCOO]- 448.97170 179.5
[M+CH3COO]- 462.98735 218.2
[M+Na-2H]- 424.94817 171.0
[M]+ 403.97295 198.6
[M]- 403.97405 198.6
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.