CID 379462

Nsc664015

Structural Information

Molecular Formula
C30H23NO4
SMILES
CCOC(=O)C1=C(OC(=O)C(=C1C2=CC=CC=C2)CC3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H23NO4/c1-2-34-30(33)26-25(20-11-5-3-6-12-20)24(29(32)35-28(26)22-13-7-4-8-14-22)19-23-16-9-15-21-17-10-18-31-27(21)23/h3-18H,2,19H2,1H3
InChIKey
XUPLFNBASVDMAJ-UHFFFAOYSA-N
Compound name
ethyl 6-oxo-2,4-diphenyl-5-(quinolin-8-ylmethyl)pyran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.16272 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.17000 216.8
[M+Na]+ 484.15194 224.1
[M-H]- 460.15544 229.2
[M+NH4]+ 479.19654 222.0
[M+K]+ 500.12588 218.5
[M+H-H2O]+ 444.15998 202.9
[M+HCOO]- 506.16092 234.6
[M+CH3COO]- 520.17657 225.0
[M+Na-2H]- 482.13739 219.1
[M]+ 461.16217 220.0
[M]- 461.16327 220.0
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.