CID 217164

38198-52-6

Structural Information

Molecular Formula
C22H34N2O3
SMILES
CCCCOC1=CC=C(C=C1)NC(=O)O[C@@H]2CCCC[C@H]2N3CCCCC3
InChI
InChI=1S/C22H34N2O3/c1-2-3-17-26-19-13-11-18(12-14-19)23-22(25)27-21-10-6-5-9-20(21)24-15-7-4-8-16-24/h11-14,20-21H,2-10,15-17H2,1H3,(H,23,25)/t20-,21-/m1/s1
InChIKey
DQWHWJLJYXZNSJ-NHCUHLMSSA-N
Compound name
[(1R,2R)-2-piperidin-1-ylcyclohexyl] N-(4-butoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.25696 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.264236 193.5
[M+Na]+ 397.246178 192.3
[M-H]- 373.249684 198.7
[M+NH4]+ 392.290783 202.5
[M+K]+ 413.220118 188.7
[M+H-H2O]+ 357.254220 182.3
[M+HCOO]- 419.255161 207.2
[M+CH3COO]- 433.270811 218.8
[M+Na-2H]- 395.231626 191.7
[M]+ 374.25641142 187.3
[M]- 374.25750858 187.3
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.