CID 4987183

618069-75-3

Structural Information

Molecular Formula
C33H23NO5
SMILES
COC(=O)C1=C2C=CC3=C(N2C(=C1C(=O)OC)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C=CC6=CC=CC=C63
InChI
InChI=1S/C33H23NO5/c1-38-32(36)28-27-19-17-25-24-11-7-6-10-22(24)16-18-26(25)34(27)30(29(28)33(37)39-2)31(35)23-14-12-21(13-15-23)20-8-4-3-5-9-20/h3-19H,1-2H3
InChIKey
AJDBSBFXNOONAB-UHFFFAOYSA-N
Compound name
dimethyl 3-(4-phenylbenzoyl)naphtho[2,1-e]indolizine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.1576 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.16488 227.5
[M+Na]+ 536.14682 235.4
[M-H]- 512.15032 239.1
[M+NH4]+ 531.19142 235.5
[M+K]+ 552.12076 229.7
[M+H-H2O]+ 496.15486 215.2
[M+HCOO]- 558.15580 244.7
[M+CH3COO]- 572.17145 235.4
[M+Na-2H]- 534.13227 227.5
[M]+ 513.15705 234.4
[M]- 513.15815 234.4
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.