CID 49023

67032-38-6

Structural Information

Molecular Formula
C22H35NO3
SMILES
CCCCOC1=CC=C(C=C1)C(=O)OCC(C)(C)CN2CCC(CC2)C
InChI
InChI=1S/C22H35NO3/c1-5-6-15-25-20-9-7-19(8-10-20)21(24)26-17-22(3,4)16-23-13-11-18(2)12-14-23/h7-10,18H,5-6,11-17H2,1-4H3
InChIKey
JZULKFHKOHHWRB-UHFFFAOYSA-N
Compound name
[2,2-dimethyl-3-(4-methylpiperidin-1-yl)propyl] 4-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2617 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.268976 192.9
[M+Na]+ 384.250918 195.0
[M-H]- 360.254424 196.3
[M+NH4]+ 379.295523 203.9
[M+K]+ 400.224858 191.9
[M+H-H2O]+ 344.258960 183.8
[M+HCOO]- 406.259901 207.1
[M+CH3COO]- 420.275551 217.7
[M+Na-2H]- 382.236366 192.1
[M]+ 361.26115142 194.2
[M]- 361.26224858 194.2
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.