CID 4193970

94321-75-2

Structural Information

Molecular Formula
C16H19NO3
SMILES
CC(C)(CO)NC(=O)C1=C(C=CC2=CC=CC=C21)OC
InChI
InChI=1S/C16H19NO3/c1-16(2,10-18)17-15(19)14-12-7-5-4-6-11(12)8-9-13(14)20-3/h4-9,18H,10H2,1-3H3,(H,17,19)
InChIKey
ITGRYKVMSJZDDO-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxynaphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.1365 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 163.2
[M+Na]+ 296.12572 169.8
[M-H]- 272.12922 166.3
[M+NH4]+ 291.17032 179.7
[M+K]+ 312.09966 166.7
[M+H-H2O]+ 256.13376 156.8
[M+HCOO]- 318.13470 183.0
[M+CH3COO]- 332.15035 200.5
[M+Na-2H]- 294.11117 169.1
[M]+ 273.13595 165.0
[M]- 273.13705 165.0
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

patents stripe