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

66
Patents

268.1423 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.149576 161.7
[M+Na]+ 291.131518 166.5
[M-H]- 267.135024 163.8
[M+NH4]+ 286.176123 176.9
[M+K]+ 307.105458 165.5
[M+H-H2O]+ 251.139560 154.4
[M+HCOO]- 313.140501 184.5
[M+CH3COO]- 327.156151 201.8
[M+Na-2H]- 289.116966 164.0
[M]+ 268.14175142 164.1
[M]- 268.14284858 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