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
2
Annotation Hits

30
References

971
Patents

302.11542 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.122696 165.9
[M+Na]+ 325.104638 174.0
[M-H]- 301.108144 169.5
[M+NH4]+ 320.149243 180.7
[M+K]+ 341.078578 171.1
[M+H-H2O]+ 285.112680 159.3
[M+HCOO]- 347.113621 180.7
[M+CH3COO]- 361.129271 202.8
[M+Na-2H]- 323.090086 169.7
[M]+ 302.11487142 167.4
[M]- 302.11596858 167.4
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