CID 3049241

Phenol 25

Structural Information

Molecular Formula
C19H32N2O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NCCN
InChI
InChI=1S/C19H32N2O2/c1-18(2,3)14-11-13(7-8-16(22)21-10-9-20)12-15(17(14)23)19(4,5)6/h11-12,23H,7-10,20H2,1-6H3,(H,21,22)
InChIKey
BAPROVDXKNPHAM-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

809
Patents

320.24637 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.253646 182.6
[M+Na]+ 343.235588 187.3
[M-H]- 319.239094 184.2
[M+NH4]+ 338.280193 196.4
[M+K]+ 359.209528 184.1
[M+H-H2O]+ 303.243630 176.5
[M+HCOO]- 365.244571 200.2
[M+CH3COO]- 379.260221 214.9
[M+Na-2H]- 341.221036 183.1
[M]+ 320.24582142 183.1
[M]- 320.24691858 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe