CID 218524

40755-02-0

Structural Information

Molecular Formula
C18H23NO
SMILES
CCCC(CCC)NC(=O)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C18H23NO/c1-3-7-17(8-4-2)19-18(20)16-12-11-14-9-5-6-10-15(14)13-16/h5-6,9-13,17H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKey
YGMRMDMNTMIKSB-UHFFFAOYSA-N
Compound name
N-heptan-4-ylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 166.3
[M+Na]+ 292.16720 178.4
[M+NH4]+ 287.21180 174.8
[M+K]+ 308.14114 170.2
[M-H]- 268.17070 169.7
[M+Na-2H]- 290.15265 172.4
[M]+ 269.17743 169.0
[M]- 269.17853 169.0
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.