CID 6923730
(4r)-2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarbonitrile
Structural Information
- Molecular Formula
- C15H12N4O2
- SMILES
- CC1=NC(=C([C@H](C1C#N)C2=CC=CC=C2[N+](=O)[O-])C#N)C
- InChI
- InChI=1S/C15H12N4O2/c1-9-12(7-16)15(13(8-17)10(2)18-9)11-5-3-4-6-14(11)19(20)21/h3-6,12,15H,1-2H3/t12?,15-/m0/s1
- InChIKey
- CVTUWDWUGUJOAS-CVRLYYSRSA-N
- Compound name
- (4R)-2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 281.10332 | 176.5 |
[M+Na]+ | 303.08526 | 185.8 |
[M-H]- | 279.08876 | 179.7 |
[M+NH4]+ | 298.12986 | 185.1 |
[M+K]+ | 319.05920 | 178.2 |
[M+H-H2O]+ | 263.09330 | 162.5 |
[M+HCOO]- | 325.09424 | 187.5 |
[M+CH3COO]- | 339.10989 | 224.6 |
[M+Na-2H]- | 301.07071 | 176.7 |
[M]+ | 280.09549 | 166.9 |
[M]- | 280.09659 | 166.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.