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]+ 281.113046 166.2
[M+Na]+ 303.094988 174.1
[M-H]- 279.098494 170.3
[M+NH4]+ 298.139593 183.9
[M+K]+ 319.068928 169.2
[M+H-H2O]+ 263.103030 159.6
[M+HCOO]- 325.103971 183.6
[M+CH3COO]- 339.119621 203.2
[M+Na-2H]- 301.080436 172.3
[M]+ 280.10522142 171.4
[M]- 280.10631858 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.