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 166.4
[M+Na]+ 292.16720 171.1
[M-H]- 268.17070 170.0
[M+NH4]+ 287.21180 183.5
[M+K]+ 308.14114 167.1
[M+H-H2O]+ 252.17524 159.0
[M+HCOO]- 314.17618 187.2
[M+CH3COO]- 328.19183 204.0
[M+Na-2H]- 290.15265 170.2
[M]+ 269.17743 167.3
[M]- 269.17853 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.