CID 71750278

F21hdn95q3

Structural Information

Molecular Formula

C₂₀H₂₆N₂O₄

SMILES

CC1=C(C=CC(=C1)CC(C)NCC(C2=CC(=C(C=C2)O)NC=O)O)OC

InChI

InChI=1S/C20H26N2O4/c1-13-8-15(4-7-20(13)26-3)9-14(2)21-11-19(25)16-5-6-18(24)17(10-16)22-12-23/h4-8,10,12,14,19,21,24-25H,9,11H2,1-3H3,(H,22,23)

InChIKey

KMTQWBVDHUNFES-UHFFFAOYSA-N

Compound name

N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxy-3-methylphenyl)propan-2-ylamino]ethyl]phenyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 358.18927 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	359.196546	186.7
[M+Na]+	381.178488	190.9
[M-H]-	357.181994	190.6
[M+NH4]+	376.223093	197.4
[M+K]+	397.152428	187.3
[M+H-H2O]+	341.186530	178.1
[M+HCOO]-	403.187471	206.9
[M+CH3COO]-	417.203121	219.6
[M+Na-2H]-	379.163936	186.3
[M]+	358.18872142	188.1
[M]-	358.18981858	188.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe