CID 35905

31755-22-3

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCCN(C2)C(C)C
InChI
InChI=1S/C16H23ClN2O2/c1-11(2)19-9-5-7-13(10-19)21-16(20)18-15-12(3)6-4-8-14(15)17/h4,6,8,11,13H,5,7,9-10H2,1-3H3,(H,18,20)
InChIKey
HCYVQEMTLZYXQA-UHFFFAOYSA-N
Compound name
(1-propan-2-ylpiperidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1448 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.152076 173.4
[M+Na]+ 333.134018 178.5
[M-H]- 309.137524 177.9
[M+NH4]+ 328.178623 187.4
[M+K]+ 349.107958 174.4
[M+H-H2O]+ 293.142060 165.7
[M+HCOO]- 355.143001 186.6
[M+CH3COO]- 369.158651 207.5
[M+Na-2H]- 331.119466 172.9
[M]+ 310.14425142 172.9
[M]- 310.14534858 172.9
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.