CID 36528

33531-31-6

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OC2CCN(CC2)C(C)C
InChI
InChI=1S/C16H23ClN2O2/c1-11(2)19-9-7-13(8-10-19)21-16(20)18-15-12(3)5-4-6-14(15)17/h4-6,11,13H,7-10H2,1-3H3,(H,18,20)
InChIKey
ZXEPICRUPDEDET-UHFFFAOYSA-N
Compound name
(1-propan-2-ylpiperidin-4-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

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15208 173.4
[M+Na]+ 333.13402 178.5
[M-H]- 309.13752 177.9
[M+NH4]+ 328.17862 187.4
[M+K]+ 349.10796 174.4
[M+H-H2O]+ 293.14206 165.7
[M+HCOO]- 355.14300 186.6
[M+CH3COO]- 369.15865 207.5
[M+Na-2H]- 331.11947 172.9
[M]+ 310.14425 172.9
[M]- 310.14535 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.