CID 3699630

Dimethyl 3-(2-naphthoyl)benzo[f]pyrrolo[1,2-a]quinoline-1,2-dicarboxylate

Structural Information

Molecular Formula
C31H21NO5
SMILES
COC(=O)C1=C2C=CC3=C(N2C(=C1C(=O)OC)C(=O)C4=CC5=CC=CC=C5C=C4)C=CC6=CC=CC=C63
InChI
InChI=1S/C31H21NO5/c1-36-30(34)26-25-16-14-23-22-10-6-5-8-19(22)13-15-24(23)32(25)28(27(26)31(35)37-2)29(33)21-12-11-18-7-3-4-9-20(18)17-21/h3-17H,1-2H3
InChIKey
MZQXRKJCKXFGEV-UHFFFAOYSA-N
Compound name
dimethyl 3-(naphthalene-2-carbonyl)naphtho[2,1-e]indolizine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.14197 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.14925 219.3
[M+Na]+ 510.13119 228.1
[M-H]- 486.13469 228.9
[M+NH4]+ 505.17579 229.8
[M+K]+ 526.10513 222.5
[M+H-H2O]+ 470.13923 207.9
[M+HCOO]- 532.14017 235.7
[M+CH3COO]- 546.15582 227.8
[M+Na-2H]- 508.11664 221.0
[M]+ 487.14142 227.0
[M]- 487.14252 227.0
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.