CID 504070

Clausine k

Structural Information

Molecular Formula
C15H13NO4
SMILES
COC1=CC2=C(C=C1)C3=CC(=C(C=C3N2)OC)C(=O)O
InChI
InChI=1S/C15H13NO4/c1-19-8-3-4-9-10-6-11(15(17)18)14(20-2)7-13(10)16-12(9)5-8/h3-7,16H,1-2H3,(H,17,18)
InChIKey
LDKCHJXUOLZQQV-UHFFFAOYSA-N
Compound name
2,7-dimethoxy-9H-carbazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

271.08447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 158.3
[M+Na]+ 294.07369 169.0
[M-H]- 270.07719 161.1
[M+NH4]+ 289.11829 176.3
[M+K]+ 310.04763 164.7
[M+H-H2O]+ 254.08173 152.1
[M+HCOO]- 316.08267 178.3
[M+CH3COO]- 330.09832 195.0
[M+Na-2H]- 292.05914 163.2
[M]+ 271.08392 162.9
[M]- 271.08502 162.9
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