CID 5102040
Ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
Structural Information
- Molecular Formula
- C23H16BrN3O5
- SMILES
- CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)Br
- InChI
- InChI=1S/C23H16BrN3O5/c1-2-32-23(29)18-11-21(22(28)14-6-8-17(9-7-14)27(30)31)26-13-25-19(12-20(18)26)15-4-3-5-16(24)10-15/h3-13H,2H2,1H3
- InChIKey
- HAHYFABUXXFWNV-UHFFFAOYSA-N
- Compound name
- ethyl 3-(3-bromophenyl)-7-(4-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 494.03462 | 208.7 |
[M+Na]+ | 516.01656 | 217.4 |
[M-H]- | 492.02006 | 219.7 |
[M+NH4]+ | 511.06116 | 218.2 |
[M+K]+ | 531.99050 | 202.3 |
[M+H-H2O]+ | 476.02460 | 208.5 |
[M+HCOO]- | 538.02554 | 227.2 |
[M+CH3COO]- | 552.04119 | 227.3 |
[M+Na-2H]- | 514.00201 | 212.5 |
[M]+ | 493.02679 | 230.2 |
[M]- | 493.02789 | 230.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.