CID 6603977

Psora-4

Structural Information

Molecular Formula
C21H18O4
SMILES
C1=CC=C(C=C1)CCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4
InChI
InChI=1S/C21H18O4/c22-20-10-9-16-19(25-20)14-18-17(11-13-23-18)21(16)24-12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2
InChIKey
JJAWGNIQEOFURP-UHFFFAOYSA-N
Compound name
4-(4-phenylbutoxy)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

120
Patents

334.1205 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12778 176.7
[M+Na]+ 357.10972 186.9
[M-H]- 333.11322 187.1
[M+NH4]+ 352.15432 191.6
[M+K]+ 373.08366 184.0
[M+H-H2O]+ 317.11776 168.8
[M+HCOO]- 379.11870 199.3
[M+CH3COO]- 393.13435 189.5
[M+Na-2H]- 355.09517 183.9
[M]+ 334.11995 184.9
[M]- 334.12105 184.9
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