CID 380854

Nsc666594

Structural Information

Molecular Formula
C21H21NO3
SMILES
COC1=C(C2=C(C=C1)C=C(C=C2)C(=O)NCCC3=CC=CC=C3)OC
InChI
InChI=1S/C21H21NO3/c1-24-19-11-9-16-14-17(8-10-18(16)20(19)25-2)21(23)22-13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,22,23)
InChIKey
FEAWYMCBPYEOQN-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-N-(2-phenylethyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.15213 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15941 179.9
[M+Na]+ 358.14135 186.4
[M-H]- 334.14485 187.2
[M+NH4]+ 353.18595 194.1
[M+K]+ 374.11529 182.1
[M+H-H2O]+ 318.14939 170.7
[M+HCOO]- 380.15033 202.3
[M+CH3COO]- 394.16598 214.6
[M+Na-2H]- 356.12680 184.4
[M]+ 335.15158 183.3
[M]- 335.15268 183.3
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.