CID 5199876

Rcl l210153

Structural Information

Molecular Formula
C18H15NO4
SMILES
C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC=C5C(=O)O
InChI
InChI=1S/C18H15NO4/c20-16-14-8-5-6-9(12-7-11(8)12)15(14)17(21)19(16)13-4-2-1-3-10(13)18(22)23/h1-6,8-9,11-12,14-15H,7H2,(H,22,23)
InChIKey
QEVOOOHLWGANKM-UHFFFAOYSA-N
Compound name
2-(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]+ 310.107376 166.1
[M+Na]+ 332.089318 174.5
[M-H]- 308.092824 169.6
[M+NH4]+ 327.133923 180.4
[M+K]+ 348.063258 167.8
[M+H-H2O]+ 292.097360 159.4
[M+HCOO]- 354.098301 175.4
[M+CH3COO]- 368.113951 175.5
[M+Na-2H]- 330.074766 169.6
[M]+ 309.09955142 170.9
[M]- 309.10064858 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.