CID 373968

Nsc651000

Structural Information

Molecular Formula
C19H13NO3
SMILES
C1C2=CC3=C4C(=C2OCN1C5=CC=CC=C5)C=CC=C4C(=O)O3
InChI
InChI=1S/C19H13NO3/c21-19-15-8-4-7-14-17(15)16(23-19)9-12-10-20(11-22-18(12)14)13-5-2-1-3-6-13/h1-9H,10-11H2
InChIKey
VLPRAVUZDAXNGE-UHFFFAOYSA-N
Compound name
5-phenyl-3,10-dioxa-5-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,9(16),12,14-pentaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.08954 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09682 165.8
[M+Na]+ 326.07876 175.1
[M-H]- 302.08226 174.6
[M+NH4]+ 321.12336 181.5
[M+K]+ 342.05270 171.9
[M+H-H2O]+ 286.08680 157.3
[M+HCOO]- 348.08774 181.6
[M+CH3COO]- 362.10339 177.7
[M+Na-2H]- 324.06421 172.3
[M]+ 303.08899 167.8
[M]- 303.09009 167.8
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.