CID 2861031

354812-64-9

Structural Information

Molecular Formula
C18H15NO4
SMILES
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C18H15NO4/c20-16-14-10-5-6-11(13-7-12(10)13)15(14)17(21)19(16)9-3-1-8(2-4-9)18(22)23/h1-6,10-15H,7H2,(H,22,23)
InChIKey
MFXRVNBWYHSTOY-UHFFFAOYSA-N
Compound name
4-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1001 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 163.3
[M+Na]+ 332.08932 177.0
[M+NH4]+ 327.13392 173.2
[M+K]+ 348.06326 173.7
[M-H]- 308.09282 171.3
[M+Na-2H]- 330.07477 165.4
[M]+ 309.09955 168.6
[M]- 309.10065 168.6
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.