CID 4984318

N-heptyl-1-naphthamide

Structural Information

Molecular Formula
C18H23NO
SMILES
CCCCCCCNC(=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C18H23NO/c1-2-3-4-5-8-14-19-18(20)17-13-9-11-15-10-6-7-12-16(15)17/h6-7,9-13H,2-5,8,14H2,1H3,(H,19,20)
InChIKey
FVOMEGYAIZUMMM-UHFFFAOYSA-N
Compound name
N-heptylnaphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.185256 165.9
[M+Na]+ 292.167198 170.9
[M-H]- 268.170704 169.4
[M+NH4]+ 287.211803 183.0
[M+K]+ 308.141138 166.4
[M+H-H2O]+ 252.175240 158.3
[M+HCOO]- 314.176181 187.7
[M+CH3COO]- 328.191831 203.2
[M+Na-2H]- 290.152646 170.9
[M]+ 269.17743142 167.4
[M]- 269.17852858 167.4
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.