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]+ 293.18596 171.4
[M+Na]+ 315.16790 173.0
[M-H]- 291.17140 177.0
[M+NH4]+ 310.21250 183.5
[M+K]+ 331.14184 173.5
[M+H-H2O]+ 275.17594 161.8
[M+HCOO]- 337.17688 188.9
[M+CH3COO]- 351.19253 205.8
[M+Na-2H]- 313.15335 173.5
[M]+ 292.17813 170.7
[M]- 292.17923 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.