CID 9504069

2-chloro-n-[(6-methoxynaphthalen-2-yl)methyl]-n-methylacetamide

Structural Information

Molecular Formula
C15H16ClNO2
SMILES
CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)CCl
InChI
InChI=1S/C15H16ClNO2/c1-17(15(18)9-16)10-11-3-4-13-8-14(19-2)6-5-12(13)7-11/h3-8H,9-10H2,1-2H3
InChIKey
FRLXQFITTWILLQ-UHFFFAOYSA-N
Compound name
2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.08694 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09422 161.4
[M+Na]+ 300.07616 169.6
[M-H]- 276.07966 167.2
[M+NH4]+ 295.12076 180.0
[M+K]+ 316.05010 165.9
[M+H-H2O]+ 260.08420 155.2
[M+HCOO]- 322.08514 180.5
[M+CH3COO]- 336.10079 204.5
[M+Na-2H]- 298.06161 166.2
[M]+ 277.08639 167.2
[M]- 277.08749 167.2
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.