CID 218524

2-naphthalenecarboxamide, n-(1-propylbutyl)-

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]+ 270.185256 166.4
[M+Na]+ 292.167198 171.1
[M-H]- 268.170704 170.0
[M+NH4]+ 287.211803 183.5
[M+K]+ 308.141138 167.1
[M+H-H2O]+ 252.175240 159.0
[M+HCOO]- 314.176181 187.2
[M+CH3COO]- 328.191831 204.0
[M+Na-2H]- 290.152646 170.2
[M]+ 269.17743142 167.3
[M]- 269.17852858 167.3
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.