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

42
Patents

278.19943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.206706 169.7
[M+Na]+ 301.188648 176.2
[M-H]- 277.192154 171.9
[M+NH4]+ 296.233253 185.4
[M+K]+ 317.162588 173.0
[M+H-H2O]+ 261.196690 163.7
[M+HCOO]- 323.197631 189.8
[M+CH3COO]- 337.213281 207.4
[M+Na-2H]- 299.174096 169.9
[M]+ 278.19888142 170.2
[M]- 278.19997858 170.2
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