CID 10017730

Luotonin b

Structural Information

Molecular Formula
C18H11N3O2
SMILES
C1=CC=C2C(=C1)C=C3C(N4C(=NC5=CC=CC=C5C4=O)C3=N2)O
InChI
InChI=1S/C18H11N3O2/c22-17-11-6-2-4-8-14(11)20-16-15-12(18(23)21(16)17)9-10-5-1-3-7-13(10)19-15/h1-9,18,23H
InChIKey
LZLDOGIBLAERQI-UHFFFAOYSA-N
Compound name
12-hydroxy-3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

301.0851 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09238 167.9
[M+Na]+ 324.07432 181.5
[M-H]- 300.07782 171.5
[M+NH4]+ 319.11892 184.3
[M+K]+ 340.04826 173.7
[M+H-H2O]+ 284.08236 158.5
[M+HCOO]- 346.08330 185.2
[M+CH3COO]- 360.09895 179.7
[M+Na-2H]- 322.05977 176.7
[M]+ 301.08455 171.6
[M]- 301.08565 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe