CID 34124

264cm

Structural Information

Molecular Formula
C16H21ClN2O3
SMILES
C=CCOC1=C(C=CC(=C1)Cl)C(=O)NCCN2CCOCC2
InChI
InChI=1S/C16H21ClN2O3/c1-2-9-22-15-12-13(17)3-4-14(15)16(20)18-5-6-19-7-10-21-11-8-19/h2-4,12H,1,5-11H2,(H,18,20)
InChIKey
NEHGSNUYCSUDMZ-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-morpholin-4-ylethyl)-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12408 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13136 176.6
[M+Na]+ 347.11330 181.2
[M-H]- 323.11680 181.2
[M+NH4]+ 342.15790 188.2
[M+K]+ 363.08724 177.4
[M+H-H2O]+ 307.12134 168.1
[M+HCOO]- 369.12228 190.2
[M+CH3COO]- 383.13793 207.5
[M+Na-2H]- 345.09875 178.7
[M]+ 324.12353 177.6
[M]- 324.12463 177.6
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.