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
1
Annotation Hits

0
References

99
Patents

238.13174 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 154.8
[M+Na]+ 261.12096 159.2
[M-H]- 237.12446 156.7
[M+NH4]+ 256.16556 171.0
[M+K]+ 277.09490 157.7
[M+H-H2O]+ 221.12900 147.7
[M+HCOO]- 283.12994 177.7
[M+CH3COO]- 297.14559 195.3
[M+Na-2H]- 259.10641 158.2
[M]+ 238.13119 154.9
[M]- 238.13229 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