CID 1990994
Mls000055728
Structural Information
- Molecular Formula
- C18H16N2O
- SMILES
- C/C(=C\C1=CC=CO1)/C2NC3=CC=CC4=C3C(=CC=C4)N2
- InChI
- InChI=1S/C18H16N2O/c1-12(11-14-7-4-10-21-14)18-19-15-8-2-5-13-6-3-9-16(20-18)17(13)15/h2-11,18-20H,1H3/b12-11+
- InChIKey
- JGBDGHPTJYSDRP-VAWYXSNFSA-N
- Compound name
- 2-[(E)-1-(furan-2-yl)prop-1-en-2-yl]-2,3-dihydro-1H-perimidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 277.13353 | 164.0 |
[M+Na]+ | 299.11547 | 179.0 |
[M+NH4]+ | 294.16007 | 172.8 |
[M+K]+ | 315.08941 | 172.7 |
[M-H]- | 275.11897 | 168.5 |
[M+Na-2H]- | 297.10092 | 170.0 |
[M]+ | 276.12570 | 167.5 |
[M]- | 276.12680 | 167.5 |