CID 3071644

138112-92-2

Structural Information

Molecular Formula
C19H18N2O2
SMILES
COC1=CC2=C(C=CC=C2CCNC(=O)C3=CC=NC=C3)C=C1
InChI
InChI=1S/C19H18N2O2/c1-23-17-6-5-14-3-2-4-15(18(14)13-17)9-12-21-19(22)16-7-10-20-11-8-16/h2-8,10-11,13H,9,12H2,1H3,(H,21,22)
InChIKey
UJLJEBBDJYELRM-UHFFFAOYSA-N
Compound name
N-[2-(7-methoxynaphthalen-1-yl)ethyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

306.13684 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.144116 171.8
[M+Na]+ 329.126058 178.4
[M-H]- 305.129564 177.7
[M+NH4]+ 324.170663 185.6
[M+K]+ 345.099998 173.5
[M+H-H2O]+ 289.134100 162.2
[M+HCOO]- 351.135041 193.5
[M+CH3COO]- 365.150691 208.0
[M+Na-2H]- 327.111506 178.3
[M]+ 306.13629142 173.2
[M]- 306.13738858 173.2
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