CID 3072639

143503-38-2

Structural Information

Molecular Formula
C25H42N2O4
SMILES
CCCCCCCOC1=CC=CC=C1NC(=O)OC(CN2CCCCC2)COCCC
InChI
InChI=1S/C25H42N2O4/c1-3-5-6-7-13-19-30-24-15-10-9-14-23(24)26-25(28)31-22(21-29-18-4-2)20-27-16-11-8-12-17-27/h9-10,14-15,22H,3-8,11-13,16-21H2,1-2H3,(H,26,28)
InChIKey
MWPFSGMARWJGCQ-UHFFFAOYSA-N
Compound name
(1-piperidin-1-yl-3-propoxypropan-2-yl) N-(2-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 212.1
[M+Na]+ 457.30367 210.1
[M-H]- 433.30717 214.0
[M+NH4]+ 452.34827 219.0
[M+K]+ 473.27761 207.0
[M+H-H2O]+ 417.31171 200.9
[M+HCOO]- 479.31265 227.0
[M+CH3COO]- 493.32830 232.1
[M+Na-2H]- 455.28912 209.0
[M]+ 434.31390 214.4
[M]- 434.31500 214.4
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.