CID 56924500

1391053-50-1

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CC1=CC(=C(C(=C1CC(=O)NCCN)C)O)C(C)(C)C
InChI
InChI=1S/C16H26N2O2/c1-10-8-13(16(3,4)5)15(20)11(2)12(10)9-14(19)18-7-6-17/h8,20H,6-7,9,17H2,1-5H3,(H,18,19)
InChIKey
OXWQEZCQDVNSNG-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-2-(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

278.19943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.20671 169.9
[M+Na]+ 301.18865 178.9
[M+NH4]+ 296.23325 175.6
[M+K]+ 317.16259 174.3
[M-H]- 277.19215 170.9
[M+Na-2H]- 299.17410 172.6
[M]+ 278.19888 171.2
[M]- 278.19998 171.2
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