CID 170727

N-(3-(bis(2-hydroxyethyl)amino)phenyl)benzamide

Structural Information

Molecular Formula
C17H20N2O3
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)N(CCO)CCO
InChI
InChI=1S/C17H20N2O3/c20-11-9-19(10-12-21)16-8-4-7-15(13-16)18-17(22)14-5-2-1-3-6-14/h1-8,13,20-21H,9-12H2,(H,18,22)
InChIKey
OYTLLQHYKCEMGB-UHFFFAOYSA-N
Compound name
N-[3-[bis(2-hydroxyethyl)amino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

300.1474 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.154676 170.1
[M+Na]+ 323.136618 173.5
[M-H]- 299.140124 174.8
[M+NH4]+ 318.181223 183.2
[M+K]+ 339.110558 170.3
[M+H-H2O]+ 283.144660 161.4
[M+HCOO]- 345.145601 192.8
[M+CH3COO]- 359.161251 206.2
[M+Na-2H]- 321.122066 173.8
[M]+ 300.14685142 169.5
[M]- 300.14794858 169.5
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