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

9151
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

literature stripe

Patent stripe

patents stripe