CID 1278713

Dimethyl 3-(4-methylbenzoyl)benzo[f]pyrrolo[1,2-a]quinoline-1,2-dicarboxylate

Structural Information

Molecular Formula
C28H21NO5
SMILES
CC1=CC=C(C=C1)C(=O)C2=C(C(=C3N2C4=C(C=C3)C5=CC=CC=C5C=C4)C(=O)OC)C(=O)OC
InChI
InChI=1S/C28H21NO5/c1-16-8-10-18(11-9-16)26(30)25-24(28(32)34-3)23(27(31)33-2)22-15-13-20-19-7-5-4-6-17(19)12-14-21(20)29(22)25/h4-15H,1-3H3
InChIKey
YNYCWECITGBEBS-UHFFFAOYSA-N
Compound name
dimethyl 3-(4-methylbenzoyl)naphtho[2,1-e]indolizine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.14197 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.14925 207.4
[M+Na]+ 474.13119 224.5
[M+NH4]+ 469.17579 214.4
[M+K]+ 490.10513 218.1
[M-H]- 450.13469 212.1
[M+Na-2H]- 472.11664 214.0
[M]+ 451.14142 211.4
[M]- 451.14252 211.4
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.