CID 10334120

Luotonin a

Structural Information

Molecular Formula
C18H11N3O
SMILES
C1C2=CC3=CC=CC=C3N=C2C4=NC5=CC=CC=C5C(=O)N41
InChI
InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(10-21(17)18)9-11-5-1-3-7-14(11)19-16/h1-9H,10H2
InChIKey
LUMDXNLBIYLTER-UHFFFAOYSA-N
Compound name
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

44
References

46
Patents

285.0902 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09748 164.2
[M+Na]+ 308.07942 177.5
[M-H]- 284.08292 168.6
[M+NH4]+ 303.12402 181.7
[M+K]+ 324.05336 169.7
[M+H-H2O]+ 268.08746 154.1
[M+HCOO]- 330.08840 182.9
[M+CH3COO]- 344.10405 176.4
[M+Na-2H]- 306.06487 173.8
[M]+ 285.08965 167.7
[M]- 285.09075 167.7
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