CID 3072647

143503-42-8

Structural Information

Molecular Formula
C25H42N2O4
SMILES
CCCCCCCOC1=CC=CC(=C1)NC(=O)OC(CN2CCCCC2)COCCC
InChI
InChI=1S/C25H42N2O4/c1-3-5-6-7-11-18-30-23-14-12-13-22(19-23)26-25(28)31-24(21-29-17-4-2)20-27-15-9-8-10-16-27/h12-14,19,24H,3-11,15-18,20-21H2,1-2H3,(H,26,28)
InChIKey
NGRMZWOTAXAIPW-UHFFFAOYSA-N
Compound name
(1-piperidin-1-yl-3-propoxypropan-2-yl) N-(3-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.31445 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.32173 212.6
[M+Na]+ 457.30367 219.6
[M+NH4]+ 452.34827 216.9
[M+K]+ 473.27761 212.5
[M-H]- 433.30717 214.3
[M+Na-2H]- 455.28912 215.1
[M]+ 434.31390 213.6
[M]- 434.31500 213.6
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.