CID 3698326

618070-20-5

Structural Information

Molecular Formula
C30H24N2O7
SMILES
COC1=C(C=C(C=C1)C2=CC3=C(C(=C(N3C=N2)C(=O)C4=CC=CC5=CC=CC=C54)C(=O)OC)C(=O)OC)OC
InChI
InChI=1S/C30H24N2O7/c1-36-23-13-12-18(14-24(23)37-2)21-15-22-25(29(34)38-3)26(30(35)39-4)27(32(22)16-31-21)28(33)20-11-7-9-17-8-5-6-10-19(17)20/h5-16H,1-4H3
InChIKey
JQMKZQQYMWVWLJ-UHFFFAOYSA-N
Compound name
dimethyl 3-(3,4-dimethoxyphenyl)-7-(naphthalene-1-carbonyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.1583 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.16558 225.0
[M+Na]+ 547.14752 240.8
[M+NH4]+ 542.19212 229.4
[M+K]+ 563.12146 236.0
[M-H]- 523.15102 229.4
[M+Na-2H]- 545.13297 231.4
[M]+ 524.15775 228.5
[M]- 524.15885 228.5
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.