CID 90529

N-(3-(bis(2-hydroxyethyl)amino)-4-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CC(=O)NC1=CC(=C(C=C1)OC)N(CCO)CCO
InChI
InChI=1S/C13H20N2O4/c1-10(18)14-11-3-4-13(19-2)12(9-11)15(5-7-16)6-8-17/h3-4,9,16-17H,5-8H2,1-2H3,(H,14,18)
InChIKey
UIQVGOZJVVAPOV-UHFFFAOYSA-N
Compound name
N-[3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

268.1423 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14958 161.7
[M+Na]+ 291.13152 166.5
[M-H]- 267.13502 163.8
[M+NH4]+ 286.17612 176.9
[M+K]+ 307.10546 165.5
[M+H-H2O]+ 251.13956 154.4
[M+HCOO]- 313.14050 184.5
[M+CH3COO]- 327.15615 201.8
[M+Na-2H]- 289.11697 164.0
[M]+ 268.14175 164.1
[M]- 268.14285 164.1
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