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 203.1
[M+Na]+ 435.22542 204.1
[M-H]- 411.22892 209.8
[M+NH4]+ 430.27002 209.4
[M+K]+ 451.19936 201.1
[M+H-H2O]+ 395.23346 191.1
[M+HCOO]- 457.23440 219.7
[M+CH3COO]- 471.25005 225.8
[M+Na-2H]- 433.21087 203.9
[M]+ 412.23565 203.8
[M]- 412.23675 203.8
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.