CID 170727

43051-46-3

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
2
Annotation Hits

0
References

2
Patents

300.1474 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 172.1
[M+Na]+ 323.13662 182.5
[M+NH4]+ 318.18122 178.5
[M+K]+ 339.11056 176.5
[M-H]- 299.14012 175.9
[M+Na-2H]- 321.12207 179.2
[M]+ 300.14685 174.3
[M]- 300.14795 174.3
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