CID 109718

Propanamide, n-[3-[bis(2-hydroxyethyl)amino]phenyl]-

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CCC(=O)NC1=CC(=CC=C1)N(CCO)CCO
InChI
InChI=1S/C13H20N2O3/c1-2-13(18)14-11-4-3-5-12(10-11)15(6-8-16)7-9-17/h3-5,10,16-17H,2,6-9H2,1H3,(H,14,18)
InChIKey
YDTRGLRXKJCCLV-UHFFFAOYSA-N
Compound name
N-[3-[bis(2-hydroxyethyl)amino]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

252.1474 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.154676 159.3
[M+Na]+ 275.136618 163.3
[M-H]- 251.140124 161.0
[M+NH4]+ 270.181223 174.9
[M+K]+ 291.110558 161.6
[M+H-H2O]+ 235.144660 152.0
[M+HCOO]- 297.145601 181.9
[M+CH3COO]- 311.161251 198.3
[M+Na-2H]- 273.122066 162.2
[M]+ 252.14685142 159.8
[M]- 252.14794858 159.8
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