CID 457331

3-hydroxy-7-methoxy-n-[(1r)-1-(4-nitrophenyl)ethyl]naphthalene-2-carboxamide

Structural Information

Molecular Formula
C20H18N2O5
SMILES
C[C@H](C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C=C3C=CC(=CC3=C2)OC)O
InChI
InChI=1S/C20H18N2O5/c1-12(13-3-6-16(7-4-13)22(25)26)21-20(24)18-10-15-9-17(27-2)8-5-14(15)11-19(18)23/h3-12,23H,1-2H3,(H,21,24)/t12-/m1/s1
InChIKey
CGYONDROPFKVEA-GFCCVEGCSA-N
Compound name
3-hydroxy-7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.12158 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12886 182.8
[M+Na]+ 389.11080 187.3
[M-H]- 365.11430 188.9
[M+NH4]+ 384.15540 193.7
[M+K]+ 405.08474 179.9
[M+H-H2O]+ 349.11884 178.4
[M+HCOO]- 411.11978 203.7
[M+CH3COO]- 425.13543 212.6
[M+Na-2H]- 387.09625 187.3
[M]+ 366.12103 182.5
[M]- 366.12213 182.5
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.