CID 210030

2-((2-hydroxy-1,1-bis(hydroxymethyl)ethyl)amino)-2',6'-acetoxylidide hydrochloride

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CNC(CO)(CO)CO
InChI
InChI=1S/C14H22N2O4/c1-10-4-3-5-11(2)13(10)16-12(20)6-15-14(7-17,8-18)9-19/h3-5,15,17-19H,6-9H2,1-2H3,(H,16,20)
InChIKey
USMJWRHGICRSLB-UHFFFAOYSA-N
Compound name
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15796 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16524 166.6
[M+Na]+ 305.14718 173.4
[M+NH4]+ 300.19178 170.8
[M+K]+ 321.12112 170.5
[M-H]- 281.15068 165.5
[M+Na-2H]- 303.13263 168.7
[M]+ 282.15741 166.7
[M]- 282.15851 166.7
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.