CID 117773770
Elsubrutinib
Structural Information
- Molecular Formula
- C17H19N3O2
- SMILES
- C=CC(=O)N1CCC[C@H](C1)C2=C3C=CNC3=C(C=C2)C(=O)N
- InChI
- InChI=1S/C17H19N3O2/c1-2-15(21)20-9-3-4-11(10-20)12-5-6-14(17(18)22)16-13(12)7-8-19-16/h2,5-8,11,19H,1,3-4,9-10H2,(H2,18,22)/t11-/m1/s1
- InChIKey
- UNHZLHSLZZWMNP-LLVKDONJSA-N
- Compound name
- 4-[(3S)-1-prop-2-enoylpiperidin-3-yl]-1H-indole-7-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 298.15502 | 170.4 |
[M+Na]+ | 320.13696 | 176.5 |
[M-H]- | 296.14046 | 173.3 |
[M+NH4]+ | 315.18156 | 184.2 |
[M+K]+ | 336.11090 | 170.6 |
[M+H-H2O]+ | 280.14500 | 162.0 |
[M+HCOO]- | 342.14594 | 186.6 |
[M+CH3COO]- | 356.16159 | 203.0 |
[M+Na-2H]- | 318.12241 | 169.9 |
[M]+ | 297.14719 | 165.4 |
[M]- | 297.14829 | 165.4 |