CID 13709852

Schembl11113919

Structural Information

Molecular Formula
C27H41NO2
SMILES
CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C=C1)O
InChI
InChI=1S/C27H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-28-27(30)25-21-20-23-18-15-16-19-24(23)26(25)29/h15-16,18-21,29H,2-14,17,22H2,1H3,(H,28,30)
InChIKey
MQBLEOBEYBESAJ-UHFFFAOYSA-N
Compound name
N-hexadecyl-1-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

411.31372 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.320996 209.7
[M+Na]+ 434.302938 211.0
[M-H]- 410.306444 210.2
[M+NH4]+ 429.347543 220.3
[M+K]+ 450.276878 204.2
[M+H-H2O]+ 394.310980 200.5
[M+HCOO]- 456.311921 227.0
[M+CH3COO]- 470.327571 230.6
[M+Na-2H]- 432.288386 208.7
[M]+ 411.31317142 214.2
[M]- 411.31426858 214.2
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