CID 3861184

618070-18-1

Structural Information

Molecular Formula
C30H24N2O3
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C
InChI
InChI=1S/C30H24N2O3/c1-3-35-30(34)25-17-28(29(33)24-15-13-22(14-16-24)21-7-5-4-6-8-21)32-19-31-26(18-27(25)32)23-11-9-20(2)10-12-23/h4-19H,3H2,1-2H3
InChIKey
OFHKLXGOIZWRGA-UHFFFAOYSA-N
Compound name
ethyl 3-(4-methylphenyl)-7-(4-phenylbenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.17868 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.18596 214.4
[M+Na]+ 483.16790 232.8
[M+NH4]+ 478.21250 221.4
[M+K]+ 499.14184 224.6
[M-H]- 459.17140 222.5
[M+Na-2H]- 481.15335 225.8
[M]+ 460.17813 219.6
[M]- 460.17923 219.6
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.