CID 3076238

Carbamic acid, (2-(hexyloxy)phenyl)-, 2-(4-morpholinylmethyl)phenyl ester, monohydrochloride

Structural Information

Molecular Formula
C24H32N2O4
SMILES
CCCCCCOC1=CC=CC=C1NC(=O)OC2=CC=CC=C2CN3CCOCC3
InChI
InChI=1S/C24H32N2O4/c1-2-3-4-9-16-29-23-13-8-6-11-21(23)25-24(27)30-22-12-7-5-10-20(22)19-26-14-17-28-18-15-26/h5-8,10-13H,2-4,9,14-19H2,1H3,(H,25,27)
InChIKey
IKDKTIHLCBPICE-UHFFFAOYSA-N
Compound name
[2-(morpholin-4-ylmethyl)phenyl] N-(2-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.2362 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24348 204.4
[M+Na]+ 435.22542 215.8
[M+NH4]+ 430.27002 210.1
[M+K]+ 451.19936 208.0
[M-H]- 411.22892 210.8
[M+Na-2H]- 433.21087 210.8
[M]+ 412.23565 207.6
[M]- 412.23675 207.6
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.