CID 210990

Icajine, 14-hydroxy-

Structural Information

Molecular Formula

C₂₂H₂₄N₂O₄

SMILES

CN1CCC23C4C5C(CC(=O)N4C6=CC=CC=C62)OCC=C(C1)C5(CC3=O)O

InChI

InChI=1S/C22H24N2O4/c1-23-8-7-21-14-4-2-3-5-15(14)24-18(26)10-16-19(20(21)24)22(27,11-17(21)25)13(12-23)6-9-28-16/h2-6,16,19-20,27H,7-12H2,1H3

InChIKey

AHOSVLHVFRDGQF-UHFFFAOYSA-N

Compound name

22-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14,16,18-tetraene-12,20-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 380.1736 Da
Monoisotopic Mass: -0.8
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]+	381.180876	218.3
[M+Na]+	403.162818	215.9
[M-H]-	379.166324	217.0
[M+NH4]+	398.207423	217.0
[M+K]+	419.136758	216.4
[M+H-H2O]+	363.170860	213.5
[M+HCOO]-	425.171801	217.1
[M+CH3COO]-	439.187451	217.2
[M+Na-2H]-	401.148266	217.1
[M]+	380.17305142	217.0
[M]-	380.17414858	217.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.