CID 44145780

1-benzopyrylium, 4-(6-methoxy-2-(2-(4-methoxyphenyl)ethenyl)-3-phenyl-4h-1-benzopyran-4-yl)-2-phenyl-, perchlorate

Structural Information

Molecular Formula
C40H31O4
SMILES
COC1=CC=C(C=C1)/C=C/C2=C(C(C3=C(O2)C=CC(=C3)OC)C4=CC(=[O+]C5=CC=CC=C54)C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C40H31O4/c1-41-30-20-17-27(18-21-30)19-23-37-39(29-13-7-4-8-14-29)40(34-25-31(42-2)22-24-36(34)43-37)33-26-38(28-11-5-3-6-12-28)44-35-16-10-9-15-32(33)35/h3-26,40H,1-2H3/q+1/b23-19+
InChIKey
COIGEOCCJMJCPC-FCDQGJHFSA-N
Compound name
6-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-phenyl-4-(2-phenylchromenylium-4-yl)-4H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

575.2222 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.22948 259.2
[M+Na]+ 598.21142 263.8
[M-H]- 574.21492 275.4
[M+NH4]+ 593.25602 259.2
[M+K]+ 614.18536 253.2
[M+H-H2O]+ 558.21946 244.3
[M+HCOO]- 620.22040 272.0
[M+CH3COO]- 634.23605 263.5
[M+Na-2H]- 596.19687 260.2
[M]+ 575.22165 259.7
[M]- 575.22275 259.7
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.