CID 204834

4-morpholineaceto-2',6'-xylidide, 4'-bromo-

Structural Information

Molecular Formula
C14H19BrN2O2
SMILES
CC1=CC(=CC(=C1NC(=O)CN2CCOCC2)C)Br
InChI
InChI=1S/C14H19BrN2O2/c1-10-7-12(15)8-11(2)14(10)16-13(18)9-17-3-5-19-6-4-17/h7-8H,3-6,9H2,1-2H3,(H,16,18)
InChIKey
UFQBXPSKASHCKN-UHFFFAOYSA-N
Compound name
N-(4-bromo-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.063 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07028 169.7
[M+Na]+ 349.05222 177.9
[M-H]- 325.05572 177.3
[M+NH4]+ 344.09682 184.7
[M+K]+ 365.02616 167.6
[M+H-H2O]+ 309.06026 167.3
[M+HCOO]- 371.06120 185.7
[M+CH3COO]- 385.07685 206.4
[M+Na-2H]- 347.03767 173.3
[M]+ 326.06245 186.2
[M]- 326.06355 186.2
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.