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 166.1
[M+Na]+ 332.08932 174.5
[M-H]- 308.09282 169.6
[M+NH4]+ 327.13392 180.4
[M+K]+ 348.06326 167.8
[M+H-H2O]+ 292.09736 159.4
[M+HCOO]- 354.09830 175.4
[M+CH3COO]- 368.11395 175.5
[M+Na-2H]- 330.07477 169.6
[M]+ 309.09955 170.9
[M]- 309.10065 170.9
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.