CID 372050
Nsc646910
Structural Information
- Molecular Formula
- C18H20N2O4
- SMILES
- CC1=C(N=C(C(=C1C2=CC(=C(C(=C2)OC)OC)OC)C#N)OC)C
- InChI
- InChI=1S/C18H20N2O4/c1-10-11(2)20-18(24-6)13(9-19)16(10)12-7-14(21-3)17(23-5)15(8-12)22-4/h7-8H,1-6H3
- InChIKey
- WPBHISVYRNFNIR-UHFFFAOYSA-N
- Compound name
- 2-methoxy-5,6-dimethyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 329.14958 | 172.4 |
[M+Na]+ | 351.13152 | 184.5 |
[M-H]- | 327.13502 | 177.6 |
[M+NH4]+ | 346.17612 | 184.5 |
[M+K]+ | 367.10546 | 181.3 |
[M+H-H2O]+ | 311.13956 | 157.6 |
[M+HCOO]- | 373.14050 | 191.1 |
[M+CH3COO]- | 387.15615 | 223.2 |
[M+Na-2H]- | 349.11697 | 173.4 |
[M]+ | 328.14175 | 175.4 |
[M]- | 328.14285 | 175.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.