CID 3033754

N-(2-morpholinopropyl)carbanilic acid ethyl ester

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CCOC(=O)N(CC(C)N1CCOCC1)C2=CC=CC=C2
InChI
InChI=1S/C16H24N2O3/c1-3-21-16(19)18(15-7-5-4-6-8-15)13-14(2)17-9-11-20-12-10-17/h4-8,14H,3,9-13H2,1-2H3
InChIKey
RUMWYKCGYVSOBX-UHFFFAOYSA-N
Compound name
ethyl N-(2-morpholin-4-ylpropyl)-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.185956 171.4
[M+Na]+ 315.167898 173.0
[M-H]- 291.171404 177.0
[M+NH4]+ 310.212503 183.5
[M+K]+ 331.141838 173.5
[M+H-H2O]+ 275.175940 161.8
[M+HCOO]- 337.176881 188.9
[M+CH3COO]- 351.192531 205.8
[M+Na-2H]- 313.153346 173.5
[M]+ 292.17813142 170.7
[M]- 292.17922858 170.7
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.