CID 3012834
Chembl189760
Structural Information
- Molecular Formula
- C22H25N3O2
- SMILES
- CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)/C(=C(\C)/C#N)/C)N(C)C)C
- InChI
- InChI=1S/C22H25N3O2/c1-7-18-15(4)24-22(27)20(25(5)6)19(18)21(26)17-10-8-9-16(11-17)14(3)13(2)12-23/h8-11H,7H2,1-6H3,(H,24,27)/b14-13+
- InChIKey
- CZPAOGQLGKQSNX-BUHFOSPRSA-N
- Compound name
- (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-methylbut-2-enenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 364.20195 | 192.7 |
[M+Na]+ | 386.18389 | 200.8 |
[M-H]- | 362.18739 | 196.7 |
[M+NH4]+ | 381.22849 | 202.3 |
[M+K]+ | 402.15783 | 195.6 |
[M+H-H2O]+ | 346.19193 | 177.4 |
[M+HCOO]- | 408.19287 | 207.4 |
[M+CH3COO]- | 422.20852 | 233.0 |
[M+Na-2H]- | 384.16934 | 188.3 |
[M]+ | 363.19412 | 188.7 |
[M]- | 363.19522 | 188.7 |
Literature stripe
Patent stripe
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