CID 3042454

N-114

Structural Information

Molecular Formula
C22H36N2O3
SMILES
CCCCCOC1=CC=CC(=C1)N(CCC)C(=O)OCCN2CCCCC2
InChI
InChI=1S/C22H36N2O3/c1-3-5-9-17-26-21-12-10-11-20(19-21)24(13-4-2)22(25)27-18-16-23-14-7-6-8-15-23/h10-12,19H,3-9,13-18H2,1-2H3
InChIKey
HKJPCHLEMSAXJU-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(3-pentoxyphenyl)-N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.27258 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.27986 196.9
[M+Na]+ 399.26180 196.9
[M-H]- 375.26530 200.8
[M+NH4]+ 394.30640 207.1
[M+K]+ 415.23574 194.6
[M+H-H2O]+ 359.26984 186.2
[M+HCOO]- 421.27078 214.2
[M+CH3COO]- 435.28643 223.7
[M+Na-2H]- 397.24725 195.6
[M]+ 376.27203 198.6
[M]- 376.27313 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.