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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 218.3
[M+Na]+ 403.16282 215.9
[M-H]- 379.16632 217.0
[M+NH4]+ 398.20742 217.0
[M+K]+ 419.13676 216.4
[M+H-H2O]+ 363.17086 213.5
[M+HCOO]- 425.17180 217.1
[M+CH3COO]- 439.18745 217.2
[M+Na-2H]- 401.14827 217.1
[M]+ 380.17305 217.0
[M]- 380.17415 217.0
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.