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
2
Annotation Hits

4
References

271
Patents

349.1314 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.138676 181.1
[M+Na]+ 372.120618 188.6
[M-H]- 348.124124 187.2
[M+NH4]+ 367.165223 195.6
[M+K]+ 388.094558 183.8
[M+H-H2O]+ 332.128660 172.9
[M+HCOO]- 394.129601 198.0
[M+CH3COO]- 408.145251 191.3
[M+Na-2H]- 370.106066 182.2
[M]+ 349.13085142 182.5
[M]- 349.13194858 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

literature stripe

Patent stripe

patents stripe