CID 57356512

Ns00064183

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC(C)(C)N(CC1=CC=CC=C1)CC(=O)C2=CC(=CC(=C2)O)O
InChI
InChI=1S/C19H23NO3/c1-19(2,3)20(12-14-7-5-4-6-8-14)13-18(23)15-9-16(21)11-17(22)10-15/h4-11,21-22H,12-13H2,1-3H3
InChIKey
KJZOTGCJVSCWKL-UHFFFAOYSA-N
Compound name
2-[benzyl(tert-butyl)amino]-1-(3,5-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.175076 175.2
[M+Na]+ 336.157018 180.1
[M-H]- 312.160524 180.4
[M+NH4]+ 331.201623 188.6
[M+K]+ 352.130958 177.1
[M+H-H2O]+ 296.165060 167.6
[M+HCOO]- 358.166001 194.6
[M+CH3COO]- 372.181651 208.6
[M+Na-2H]- 334.142466 177.6
[M]+ 313.16725142 176.0
[M]- 313.16834858 176.0
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.