CID 3072635

143503-36-0

Structural Information

Molecular Formula
C23H38N2O4
SMILES
CCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCCC2)COCCC
InChI
InChI=1S/C23H38N2O4/c1-3-5-11-17-28-22-13-8-7-12-21(22)24-23(26)29-20(19-27-16-4-2)18-25-14-9-6-10-15-25/h7-8,12-13,20H,3-6,9-11,14-19H2,1-2H3,(H,24,26)
InChIKey
OBOHGHVAIMAAQV-UHFFFAOYSA-N
Compound name
(1-piperidin-1-yl-3-propoxypropan-2-yl) N-(2-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.28317 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.29045 203.5
[M+Na]+ 429.27239 202.4
[M-H]- 405.27589 205.8
[M+NH4]+ 424.31699 211.6
[M+K]+ 445.24633 199.7
[M+H-H2O]+ 389.28043 192.7
[M+HCOO]- 451.28137 219.1
[M+CH3COO]- 465.29702 226.3
[M+Na-2H]- 427.25784 201.4
[M]+ 406.28262 205.1
[M]- 406.28372 205.1
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.