CID 10318839

Carbanilic acid, o-(heptyloxy)-, 2-morpholinoethyl ester, hydrochloride

Structural Information

Molecular Formula
C20H32N2O4
SMILES
CCCCCCCOC1=CC=CC=C1NC(=O)OCCN2CCOCC2
InChI
InChI=1S/C20H32N2O4/c1-2-3-4-5-8-14-25-19-10-7-6-9-18(19)21-20(23)26-17-13-22-11-15-24-16-12-22/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,21,23)
InChIKey
VPEBTTVFYLIWMG-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl N-(2-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

364.2362 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.24348 191.4
[M+Na]+ 387.22542 192.1
[M-H]- 363.22892 194.9
[M+NH4]+ 382.27002 200.1
[M+K]+ 403.19936 190.4
[M+H-H2O]+ 347.23346 180.9
[M+HCOO]- 409.23440 208.2
[M+CH3COO]- 423.25005 216.7
[M+Na-2H]- 385.21087 192.7
[M]+ 364.23565 193.2
[M]- 364.23675 193.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.