CID 5831413
Nsc634626
Structural Information
- Molecular Formula
- C24H23N3O3
- SMILES
- CC1CN1C2=C(C(=NN(C2=O)C)C3=CC=CC=C3)C(=O)/C=C/C4=CC=C(C=C4)OC
- InChI
- InChI=1S/C24H23N3O3/c1-16-15-27(16)23-21(20(28)14-11-17-9-12-19(30-3)13-10-17)22(25-26(2)24(23)29)18-7-5-4-6-8-18/h4-14,16H,15H2,1-3H3/b14-11+
- InChIKey
- OYRAFGCWMBNYEL-SDNWHVSQSA-N
- Compound name
- 5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2-methyl-4-(2-methylaziridin-1-yl)-6-phenylpyridazin-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 402.18123 | 205.4 |
[M+Na]+ | 424.16317 | 215.9 |
[M-H]- | 400.16667 | 214.6 |
[M+NH4]+ | 419.20777 | 207.7 |
[M+K]+ | 440.13711 | 207.7 |
[M+H-H2O]+ | 384.17121 | 193.5 |
[M+HCOO]- | 446.17215 | 224.1 |
[M+CH3COO]- | 460.18780 | 227.0 |
[M+Na-2H]- | 422.14862 | 204.5 |
[M]+ | 401.17340 | 210.7 |
[M]- | 401.17450 | 210.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.