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
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 170.1
[M+Na]+ 323.13662 173.5
[M-H]- 299.14012 174.8
[M+NH4]+ 318.18122 183.2
[M+K]+ 339.11056 170.3
[M+H-H2O]+ 283.14466 161.4
[M+HCOO]- 345.14560 192.8
[M+CH3COO]- 359.16125 206.2
[M+Na-2H]- 321.12207 173.8
[M]+ 300.14685 169.5
[M]- 300.14795 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