CID 105290

1-benzopyrylium, 4-ethoxy-2-(4-methoxyphenyl)-, methanesulfonate

Structural Information

Molecular Formula
C18H17O3
SMILES
CCOC1=CC(=[O+]C2=CC=CC=C21)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H17O3/c1-3-20-18-12-17(13-8-10-14(19-2)11-9-13)21-16-7-5-4-6-15(16)18/h4-12H,3H2,1-2H3/q+1
InChIKey
HSTHKYPTFVDTGU-UHFFFAOYSA-N
Compound name
4-ethoxy-2-(4-methoxyphenyl)chromenylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11777 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12505 167.6
[M+Na]+ 304.10699 176.2
[M-H]- 280.11049 176.5
[M+NH4]+ 299.15159 183.0
[M+K]+ 320.08093 168.2
[M+H-H2O]+ 264.11503 161.9
[M+HCOO]- 326.11597 189.6
[M+CH3COO]- 340.13162 194.8
[M+Na-2H]- 302.09244 177.1
[M]+ 281.11722 171.5
[M]- 281.11832 171.5
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.