CID 137308

87549-35-7

Structural Information

Molecular Formula

C₁₈H₂₉NO₄

SMILES

CC(C)NCC(COC1=CC=C(C=C1)C(COCC2CC2)O)O

InChI

InChI=1S/C18H29NO4/c1-13(2)19-9-16(20)11-23-17-7-5-15(6-8-17)18(21)12-22-10-14-3-4-14/h5-8,13-14,16,18-21H,3-4,9-12H2,1-2H3

InChIKey

NDOYCLDFWYZWIO-UHFFFAOYSA-N

Compound name

1-[4-[2-(cyclopropylmethoxy)-1-hydroxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 323.20966 Da
Monoisotopic Mass: 1.7
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]+	324.216936	171.9
[M+Na]+	346.198878	175.6
[M-H]-	322.202384	175.6
[M+NH4]+	341.243483	179.6
[M+K]+	362.172818	172.1
[M+H-H2O]+	306.206920	164.5
[M+HCOO]-	368.207861	190.2
[M+CH3COO]-	382.223511	210.7
[M+Na-2H]-	344.184326	171.8
[M]+	323.20911142	176.2
[M]-	323.21020858	176.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.