CID 3740458
304867-97-8
Structural Information
- Molecular Formula
- C21H19N5O5
- SMILES
- COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)CN4C=C(C=N4)[N+](=O)[O-]
- InChI
- InChI=1S/C21H19N5O5/c1-30-17-6-5-12(7-13(17)10-25-11-14(9-24-25)26(28)29)19-15(8-22)21(23)31-18-4-2-3-16(27)20(18)19/h5-7,9,11,19H,2-4,10,23H2,1H3
- InChIKey
- MOUIBJBYHBPEQG-UHFFFAOYSA-N
- Compound name
- 2-amino-4-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 422.14588 | 203.1 |
[M+Na]+ | 444.12782 | 210.5 |
[M-H]- | 420.13132 | 208.3 |
[M+NH4]+ | 439.17242 | 208.5 |
[M+K]+ | 460.10176 | 200.5 |
[M+H-H2O]+ | 404.13586 | 189.7 |
[M+HCOO]- | 466.13680 | 216.6 |
[M+CH3COO]- | 480.15245 | 232.0 |
[M+Na-2H]- | 442.11327 | 203.8 |
[M]+ | 421.13805 | 195.8 |
[M]- | 421.13915 | 195.8 |
Literature stripe
Patent stripe
No patent data available for this compound.