CID 3076236

Carbamic acid, (2,4,6-trimethylphenyl)-, 2-(4-morpholinylmethyl)phenyl ester, monohydrochloride

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)OC2=CC=CC=C2CN3CCOCC3)C
InChI
InChI=1S/C21H26N2O3/c1-15-12-16(2)20(17(3)13-15)22-21(24)26-19-7-5-4-6-18(19)14-23-8-10-25-11-9-23/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,24)
InChIKey
XXMCYVGBBYXYQN-UHFFFAOYSA-N
Compound name
[2-(morpholin-4-ylmethyl)phenyl] N-(2,4,6-trimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 188.5
[M+Na]+ 377.18356 193.1
[M-H]- 353.18706 196.8
[M+NH4]+ 372.22816 198.1
[M+K]+ 393.15750 190.1
[M+H-H2O]+ 337.19160 177.9
[M+HCOO]- 399.19254 206.0
[M+CH3COO]- 413.20819 217.4
[M+Na-2H]- 375.16901 189.3
[M]+ 354.19379 187.8
[M]- 354.19489 187.8
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.