CID 66690

N-[3-[bis(2-hydroxyethyl)amino]phenyl]acetamide

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CC(=O)NC1=CC(=CC=C1)N(CCO)CCO
InChI
InChI=1S/C12H18N2O3/c1-10(17)13-11-3-2-4-12(9-11)14(5-7-15)6-8-16/h2-4,9,15-16H,5-8H2,1H3,(H,13,17)
InChIKey
BPAFLIGSSPTQHU-UHFFFAOYSA-N
Compound name
N-[3-[bis(2-hydroxyethyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

106
Patents

238.13174 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 154.8
[M+Na]+ 261.120958 159.2
[M-H]- 237.124464 156.7
[M+NH4]+ 256.165563 171.0
[M+K]+ 277.094898 157.7
[M+H-H2O]+ 221.129000 147.7
[M+HCOO]- 283.129941 177.7
[M+CH3COO]- 297.145591 195.3
[M+Na-2H]- 259.106406 158.2
[M]+ 238.13119142 154.9
[M]- 238.13228858 154.9
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