CID 213094

2-(bis(2-hydroxyethyl)amino)-4'-((p-chlorobenzyl)oxy)propionanilide hydrochloride

Structural Information

Molecular Formula
C20H25ClN2O4
SMILES
CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)N(CCO)CCO
InChI
InChI=1S/C20H25ClN2O4/c1-15(23(10-12-24)11-13-25)20(26)22-18-6-8-19(9-7-18)27-14-16-2-4-17(21)5-3-16/h2-9,15,24-25H,10-14H2,1H3,(H,22,26)
InChIKey
QYEWSAIPWGVOIW-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1503 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15758 193.7
[M+Na]+ 415.13952 203.9
[M+NH4]+ 410.18412 199.2
[M+K]+ 431.11346 197.8
[M-H]- 391.14302 196.7
[M+Na-2H]- 413.12497 199.1
[M]+ 392.14975 196.0
[M]- 392.15085 196.0
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

No patent data available for this compound.