CID 135554414

Necatorin

Structural Information

Molecular Formula
C15H8N2O3
SMILES
C1=CC=C2C(=C1)C3=C(C4=C(C=C3O)OC(=O)C=C4)N=N2
InChI
InChI=1S/C15H8N2O3/c18-11-7-12-9(5-6-13(19)20-12)15-14(11)8-3-1-2-4-10(8)16-17-15/h1-7,18H
InChIKey
WNQBVKOXDIYRFH-UHFFFAOYSA-N
Compound name
11-hydroxychromeno[5,6-c]cinnolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

7
Patents

264.0535 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06078 155.1
[M+Na]+ 287.04272 168.4
[M-H]- 263.04622 159.5
[M+NH4]+ 282.08732 170.3
[M+K]+ 303.01666 163.6
[M+H-H2O]+ 247.05076 146.1
[M+HCOO]- 309.05170 173.8
[M+CH3COO]- 323.06735 168.0
[M+Na-2H]- 285.02817 167.5
[M]+ 264.05295 159.5
[M]- 264.05405 159.5
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