CID 1051887
374544-29-3
Structural Information
- Molecular Formula
- C20H14N2O5S
- SMILES
- CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C#N
- InChI
- InChI=1S/C20H14N2O5S/c1-14-5-8-18(9-6-14)28(25,26)19(13-21)12-17-7-10-20(27-17)15-3-2-4-16(11-15)22(23)24/h2-12H,1H3/b19-12+
- InChIKey
- DUTZVCQNCZSFAC-XDHOZWIPSA-N
- Compound name
- (E)-2-(4-methylphenyl)sulfonyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 395.06963 | 210.7 |
[M+Na]+ | 417.05157 | 219.5 |
[M-H]- | 393.05507 | 219.4 |
[M+NH4]+ | 412.09617 | 219.8 |
[M+K]+ | 433.02551 | 210.0 |
[M+H-H2O]+ | 377.05961 | 199.8 |
[M+HCOO]- | 439.06055 | 224.6 |
[M+CH3COO]- | 453.07620 | 218.9 |
[M+Na-2H]- | 415.03702 | 211.4 |
[M]+ | 394.06180 | 206.8 |
[M]- | 394.06290 | 206.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.