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 210.3
[M+Na]+ 474.13119 219.9
[M-H]- 450.13469 219.5
[M+NH4]+ 469.17579 222.0
[M+K]+ 490.10513 214.9
[M+H-H2O]+ 434.13923 200.2
[M+HCOO]- 496.14017 228.6
[M+CH3COO]- 510.15582 220.0
[M+Na-2H]- 472.11664 211.0
[M]+ 451.14142 218.9
[M]- 451.14252 218.9
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

No patent data available for this compound.