CID 123964

Vadimezan

Structural Information

Molecular Formula
C17H14O4
SMILES
CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O)C
InChI
InChI=1S/C17H14O4/c1-9-6-7-13-15(20)12-5-3-4-11(8-14(18)19)17(12)21-16(13)10(9)2/h3-7H,8H2,1-2H3,(H,18,19)
InChIKey
XGOYIMQSIKSOBS-UHFFFAOYSA-N
Compound name
2-(5,6-dimethyl-9-oxoxanthen-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

317
References

8135
Patents

282.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 160.3
[M+Na]+ 305.07842 172.1
[M-H]- 281.08192 166.6
[M+NH4]+ 300.12302 177.0
[M+K]+ 321.05236 168.9
[M+H-H2O]+ 265.08646 153.4
[M+HCOO]- 327.08740 180.8
[M+CH3COO]- 341.10305 201.8
[M+Na-2H]- 303.06387 167.1
[M]+ 282.08865 166.4
[M]- 282.08975 166.4
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.