CID 3043481

M 18

Structural Information

Molecular Formula
C21H25ClN2O3
SMILES
CC1=CC=CC=C1N(CCOC2=CC=C(C=C2)Cl)C(=O)CN3CCOCC3
InChI
InChI=1S/C21H25ClN2O3/c1-17-4-2-3-5-20(17)24(21(25)16-23-10-13-26-14-11-23)12-15-27-19-8-6-18(22)7-9-19/h2-9H,10-16H2,1H3
InChIKey
DSEHPFNWKRAYBE-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenoxy)ethyl]-N-(2-methylphenyl)-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.15536 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.162636 193.9
[M+Na]+ 411.144578 197.4
[M-H]- 387.148084 202.5
[M+NH4]+ 406.189183 202.9
[M+K]+ 427.118518 194.1
[M+H-H2O]+ 371.152620 183.2
[M+HCOO]- 433.153561 207.3
[M+CH3COO]- 447.169211 222.2
[M+Na-2H]- 409.130026 194.9
[M]+ 388.15481142 196.0
[M]- 388.15590858 196.0
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.