CID 162345415

Ns00133091

Structural Information

Molecular Formula
C15H10N2O2
SMILES
C1=CC=C2C(=C1)C=CC3=C4N2C(=O)NC4=CC(=C3)O
InChI
InChI=1S/C15H10N2O2/c18-11-7-10-6-5-9-3-1-2-4-13(9)17-14(10)12(8-11)16-15(17)19/h1-8,18H,(H,16,19)
InChIKey
PRVQDPHWDSJOHJ-UHFFFAOYSA-N
Compound name
12-hydroxy-1,15-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,8,10(17),11,13-heptaen-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.07423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.081506 155.4
[M+Na]+ 273.063448 167.6
[M-H]- 249.066954 159.5
[M+NH4]+ 268.108053 173.7
[M+K]+ 289.037388 164.5
[M+H-H2O]+ 233.071490 150.0
[M+HCOO]- 295.072431 174.4
[M+CH3COO]- 309.088081 168.0
[M+Na-2H]- 271.048896 163.8
[M]+ 250.07368142 156.2
[M]- 250.07477858 156.2
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.