CID 3065025

106380-54-5

Structural Information

Molecular Formula
C14H18Cl2N2O2
SMILES
CC(CC(=O)NC1=C(C=C(C=C1)Cl)Cl)N2CCOCC2
InChI
InChI=1S/C14H18Cl2N2O2/c1-10(18-4-6-20-7-5-18)8-14(19)17-13-3-2-11(15)9-12(13)16/h2-3,9-10H,4-8H2,1H3,(H,17,19)
InChIKey
YKJQBLPQVMMWLH-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.07452 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08180 171.4
[M+Na]+ 339.06374 176.8
[M-H]- 315.06724 175.7
[M+NH4]+ 334.10834 184.0
[M+K]+ 355.03768 172.7
[M+H-H2O]+ 299.07178 164.3
[M+HCOO]- 361.07272 179.2
[M+CH3COO]- 375.08837 205.3
[M+Na-2H]- 337.04919 172.6
[M]+ 316.07397 171.7
[M]- 316.07507 171.7
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.