CID 3071640

138112-88-6

Structural Information

Molecular Formula
C21H21NO2
SMILES
CC1=CC=C(C=C1)C(=O)NCCC2=CC=CC3=C2C=C(C=C3)OC
InChI
InChI=1S/C21H21NO2/c1-15-6-8-18(9-7-15)21(23)22-13-12-17-5-3-4-16-10-11-19(24-2)14-20(16)17/h3-11,14H,12-13H2,1-2H3,(H,22,23)
InChIKey
KQOJUTRDSPSFQR-UHFFFAOYSA-N
Compound name
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.15723 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16451 176.8
[M+Na]+ 342.14645 183.4
[M-H]- 318.14995 184.1
[M+NH4]+ 337.19105 191.7
[M+K]+ 358.12039 178.4
[M+H-H2O]+ 302.15449 167.9
[M+HCOO]- 364.15543 199.1
[M+CH3COO]- 378.17108 212.5
[M+Na-2H]- 340.13190 181.2
[M]+ 319.15668 178.8
[M]- 319.15778 178.8
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

patents stripe