CID 89496273
Sacibertinib
Structural Information
- Molecular Formula
- C32H31ClN6O4
- SMILES
- CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)O[C@H]5CCOC5
- InChI
- InChI=1S/C32H31ClN6O4/c1-39(2)12-5-7-31(40)38-28-15-25-27(16-30(28)43-24-10-13-41-20-24)36-18-21(17-34)32(25)37-22-8-9-29(26(33)14-22)42-19-23-6-3-4-11-35-23/h3-9,11,14-16,18,24H,10,12-13,19-20H2,1-2H3,(H,36,37)(H,38,40)/b7-5+/t24-/m0/s1
- InChIKey
- ZGYIXVSQHOKQRZ-COIATFDQSA-N
- Compound name
- (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-[(3S)-oxolan-3-yl]oxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 599.21681 | 246.2 |
[M+Na]+ | 621.19875 | 251.9 |
[M-H]- | 597.20225 | 253.6 |
[M+NH4]+ | 616.24335 | 246.1 |
[M+K]+ | 637.17269 | 243.5 |
[M+H-H2O]+ | 581.20679 | 226.4 |
[M+HCOO]- | 643.20773 | 255.8 |
[M+CH3COO]- | 657.22338 | 249.0 |
[M+Na-2H]- | 619.18420 | 243.1 |
[M]+ | 598.20898 | 245.0 |
[M]- | 598.21008 | 245.0 |
Literature stripe
No literature data available for this compound.