CID 15332725

Diphenyl carbomethoxy acetoxy naphthopyran

Structural Information

Molecular Formula
C29H22O5
SMILES
CC(=O)OC1=C(C2=C(C3=CC=CC=C31)OC(C=C2)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC
InChI
InChI=1S/C29H22O5/c1-19(30)33-27-23-16-10-9-15-22(23)26-24(25(27)28(31)32-2)17-18-29(34-26,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-18H,1-2H3
InChIKey
YDJGYKQKENIOEK-UHFFFAOYSA-N
Compound name
methyl 6-acetyloxy-2,2-diphenylbenzo[h]chromene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

277
Patents

450.14673 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.15401 211.6
[M+Na]+ 473.13595 218.2
[M-H]- 449.13945 223.0
[M+NH4]+ 468.18055 221.6
[M+K]+ 489.10989 215.0
[M+H-H2O]+ 433.14399 199.3
[M+HCOO]- 495.14493 227.6
[M+CH3COO]- 509.16058 220.2
[M+Na-2H]- 471.12140 215.0
[M]+ 450.14618 214.9
[M]- 450.14728 214.9
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

patents stripe