CID 138674835
2311863-36-0
Structural Information
- Molecular Formula
- C22H22FN5O3
- SMILES
- COC1=CC(=NC=C1OC2=CC=C(C=C2)F)C(=O)N3CCC(CC3)C4=NN=C(C=C4)N
- InChI
- InChI=1S/C22H22FN5O3/c1-30-19-12-18(25-13-20(19)31-16-4-2-15(23)3-5-16)22(29)28-10-8-14(9-11-28)17-6-7-21(24)27-26-17/h2-7,12-14H,8-11H2,1H3,(H2,24,27)
- InChIKey
- JUALOUHZJJERQT-UHFFFAOYSA-N
- Compound name
- [4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[5-(4-fluorophenoxy)-4-methoxypyridin-2-yl]methanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 424.17793 | 203.5 |
[M+Na]+ | 446.15987 | 209.2 |
[M-H]- | 422.16337 | 208.6 |
[M+NH4]+ | 441.20447 | 206.2 |
[M+K]+ | 462.13381 | 202.5 |
[M+H-H2O]+ | 406.16791 | 188.4 |
[M+HCOO]- | 468.16885 | 216.5 |
[M+CH3COO]- | 482.18450 | 209.7 |
[M+Na-2H]- | 444.14532 | 203.6 |
[M]+ | 423.17010 | 199.5 |
[M]- | 423.17120 | 199.5 |
Literature stripe
No literature data available for this compound.