CID 65493

Proxicromil

Structural Information

Molecular Formula
C17H18O5
SMILES
CCCC1=C2C(=C(C3=C1CCCC3)O)C(=O)C=C(O2)C(=O)O
InChI
InChI=1S/C17H18O5/c1-2-5-11-9-6-3-4-7-10(9)15(19)14-12(18)8-13(17(20)21)22-16(11)14/h8,19H,2-7H2,1H3,(H,20,21)
InChIKey
VFFTVZUIDYJUQS-UHFFFAOYSA-N
Compound name
5-hydroxy-4-oxo-10-propyl-6,7,8,9-tetrahydrobenzo[g]chromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

940
Patents

302.11542 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 166.7
[M+Na]+ 325.10464 179.6
[M+NH4]+ 320.14924 173.7
[M+K]+ 341.07858 174.1
[M-H]- 301.10814 169.3
[M+Na-2H]- 323.09009 169.0
[M]+ 302.11487 169.1
[M]- 302.11597 169.1
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