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

3
Patents

306.13684 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 171.8
[M+Na]+ 329.12606 178.4
[M-H]- 305.12956 177.7
[M+NH4]+ 324.17066 185.6
[M+K]+ 345.10000 173.5
[M+H-H2O]+ 289.13410 162.2
[M+HCOO]- 351.13504 193.5
[M+CH3COO]- 365.15069 208.0
[M+Na-2H]- 327.11151 178.3
[M]+ 306.13629 173.2
[M]- 306.13739 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