CID 40278

Carbanilic acid, n-ethyl-m-(hexyloxy)-, 1-methyl-2-piperidinoethyl ester, monohydrochloride

Structural Information

Molecular Formula
C23H38N2O3
SMILES
CCCCCCOC1=CC=CC(=C1)N(CC)C(=O)OC(C)CN2CCCCC2
InChI
InChI=1S/C23H38N2O3/c1-4-6-7-11-17-27-22-14-12-13-21(18-22)25(5-2)23(26)28-20(3)19-24-15-9-8-10-16-24/h12-14,18,20H,4-11,15-17,19H2,1-3H3
InChIKey
QBIGKJDSZXLYFJ-UHFFFAOYSA-N
Compound name
1-piperidin-1-ylpropan-2-yl N-ethyl-N-(3-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.28824 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.29552 201.5
[M+Na]+ 413.27746 200.8
[M-H]- 389.28096 205.3
[M+NH4]+ 408.32206 211.1
[M+K]+ 429.25140 198.8
[M+H-H2O]+ 373.28550 190.8
[M+HCOO]- 435.28644 217.5
[M+CH3COO]- 449.30209 227.5
[M+Na-2H]- 411.26291 198.5
[M]+ 390.28769 203.0
[M]- 390.28879 203.0
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.