CID 177678473

Glxc-24013

Structural Information

Molecular Formula
C15H16ClNO2
SMILES
[2H]C([2H])([2H])OC1=C(C=C2C=CC=C(C2=C1)CCNC(=O)C)Cl
InChI
InChI=1S/C15H16ClNO2/c1-10(18)17-7-6-11-4-3-5-12-8-14(16)15(19-2)9-13(11)12/h3-5,8-9H,6-7H2,1-2H3,(H,17,18)/i2D3
InChIKey
KNYFIWBFKFDCTJ-BMSJAHLVSA-N
Compound name
N-[2-[6-chloro-7-(trideuteriomethoxy)naphthalen-1-yl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11305 166.2
[M+Na]+ 303.09499 174.1
[M-H]- 279.09849 170.3
[M+NH4]+ 298.13959 183.9
[M+K]+ 319.06893 169.2
[M+H-H2O]+ 263.10303 159.6
[M+HCOO]- 325.10397 183.6
[M+CH3COO]- 339.11962 203.2
[M+Na-2H]- 301.08044 172.3
[M]+ 280.10522 171.4
[M]- 280.10632 171.4
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.