CID 37184

Oxarbazole

Structural Information

Molecular Formula
C21H19NO4
SMILES
COC1=CC2=C(C=C1)N(C3=C2CC(CC3)C(=O)O)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H19NO4/c1-26-15-8-10-19-17(12-15)16-11-14(21(24)25)7-9-18(16)22(19)20(23)13-5-3-2-4-6-13/h2-6,8,10,12,14H,7,9,11H2,1H3,(H,24,25)
InChIKey
ZNHCPKKNDKCPDG-UHFFFAOYSA-N
Compound name
9-benzoyl-6-methoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

267
Patents

349.1314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 181.1
[M+Na]+ 372.12062 188.6
[M-H]- 348.12412 187.2
[M+NH4]+ 367.16522 195.6
[M+K]+ 388.09456 183.8
[M+H-H2O]+ 332.12866 172.9
[M+HCOO]- 394.12960 198.0
[M+CH3COO]- 408.14525 191.3
[M+Na-2H]- 370.10607 182.2
[M]+ 349.13085 182.5
[M]- 349.13195 182.5
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.