CID 15958786
Schembl2629095
Structural Information
- Molecular Formula
- C26H24FN7O4
- SMILES
- CN(C)C(=O)C1=CC(=NN1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)F
- InChI
- InChI=1S/C26H24FN7O4/c1-32(2)25(37)19-12-18(30-31-19)21-22-20(17(27)14-29-21)16(13-28-22)23(35)26(38)34-10-8-33(9-11-34)24(36)15-6-4-3-5-7-15/h3-7,12-14,28H,8-11H2,1-2H3,(H,30,31)
- InChIKey
- OUDOUURDHJHJKX-UHFFFAOYSA-N
- Compound name
- 3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 518.19468 | 215.5 |
[M+Na]+ | 540.17662 | 219.6 |
[M-H]- | 516.18012 | 220.7 |
[M+NH4]+ | 535.22122 | 215.8 |
[M+K]+ | 556.15056 | 213.8 |
[M+H-H2O]+ | 500.18466 | 203.1 |
[M+HCOO]- | 562.18560 | 223.8 |
[M+CH3COO]- | 576.20125 | 220.1 |
[M+Na-2H]- | 538.16207 | 209.6 |
[M]+ | 517.18685 | 212.8 |
[M]- | 517.18795 | 212.8 |