CID 378990

Nsc662582

Structural Information

Molecular Formula
C17H11NO4
SMILES
CC1=C(C2=C(C(=O)N1)OC3=CC4=CC=CC=C4C=C32)C(=O)O
InChI
InChI=1S/C17H11NO4/c1-8-13(17(20)21)14-11-6-9-4-2-3-5-10(9)7-12(11)22-15(14)16(19)18-8/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKey
YAMFJLJQNZGQRO-UHFFFAOYSA-N
Compound name
13-methyl-15-oxo-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaene-12-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06882 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07610 162.4
[M+Na]+ 316.05804 175.8
[M-H]- 292.06154 167.8
[M+NH4]+ 311.10264 179.4
[M+K]+ 332.03198 170.9
[M+H-H2O]+ 276.06608 156.0
[M+HCOO]- 338.06702 181.9
[M+CH3COO]- 352.08267 175.6
[M+Na-2H]- 314.04349 169.7
[M]+ 293.06827 168.3
[M]- 293.06937 168.3
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.