CID 3058606

75445-26-0

Structural Information

Molecular Formula
C23H25NO3
SMILES
COC1=CC=C(C=C1)C(CCC2=C(C=CC3=CC=CC=C32)OC)CC(=O)N
InChI
InChI=1S/C23H25NO3/c1-26-19-11-7-16(8-12-19)18(15-23(24)25)9-13-21-20-6-4-3-5-17(20)10-14-22(21)27-2/h3-8,10-12,14,18H,9,13,15H2,1-2H3,(H2,24,25)
InChIKey
QQTXYOXLBJPMSI-UHFFFAOYSA-N
Compound name
5-(2-methoxynaphthalen-1-yl)-3-(4-methoxyphenyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.18344 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19072 189.9
[M+Na]+ 386.17266 194.9
[M-H]- 362.17616 196.2
[M+NH4]+ 381.21726 202.4
[M+K]+ 402.14660 190.5
[M+H-H2O]+ 346.18070 180.4
[M+HCOO]- 408.18164 209.8
[M+CH3COO]- 422.19729 221.5
[M+Na-2H]- 384.15811 191.0
[M]+ 363.18289 192.4
[M]- 363.18399 192.4
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.