CID 210990

14-hydroxyicajine

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 172.0
[M+Na]+ 403.16282 172.0
[M+NH4]+ 398.20742 172.0
[M+K]+ 419.13676 171.9
[M-H]- 379.16632 172.0
[M+Na-2H]- 401.14827 171.9
[M]+ 380.17305 172.0
[M]- 380.17415 172.0
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.