CID 353505

Nsc601990

Structural Information

Molecular Formula
C34H34O8
SMILES
C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)OCCCCCCCCCCCCOC4=C5C(=CC6=C4OC=C6)C=CC(=O)O5
InChI
InChI=1S/C34H34O8/c35-27-13-11-23-21-25-15-19-39-29(25)33(31(23)41-27)37-17-9-7-5-3-1-2-4-6-8-10-18-38-34-30-26(16-20-40-30)22-24-12-14-28(36)42-32(24)34/h11-16,19-22H,1-10,17-18H2
InChIKey
ZOBAAIOOHSRBBP-UHFFFAOYSA-N
Compound name
9-[12-(7-oxofuro[3,2-g]chromen-9-yl)oxydodecoxy]furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.22534 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.23262 240.3
[M+Na]+ 593.21456 250.0
[M-H]- 569.21806 253.9
[M+NH4]+ 588.25916 246.2
[M+K]+ 609.18850 249.3
[M+H-H2O]+ 553.22260 231.9
[M+HCOO]- 615.22354 258.7
[M+CH3COO]- 629.23919 249.3
[M+Na-2H]- 591.20001 242.5
[M]+ 570.22479 259.4
[M]- 570.22589 259.4
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.