CID 445950
(2s)-1-[4-({6-[(2,6-difluorophenyl)amino]pyrimidin-4-yl}amino)phenoxy]-3-(dimethylamino)propan-2-ol
Structural Information
- Molecular Formula
- C21H23F2N5O2
- SMILES
- CN(C)C[C@@H](COC1=CC=C(C=C1)NC2=CC(=NC=N2)NC3=C(C=CC=C3F)F)O
- InChI
- InChI=1S/C21H23F2N5O2/c1-28(2)11-15(29)12-30-16-8-6-14(7-9-16)26-19-10-20(25-13-24-19)27-21-17(22)4-3-5-18(21)23/h3-10,13,15,29H,11-12H2,1-2H3,(H2,24,25,26,27)/t15-/m0/s1
- InChIKey
- ZVSBKYYVBCKDBO-HNNXBMFYSA-N
- Compound name
- (2S)-1-[4-[[6-(2,6-difluoroanilino)pyrimidin-4-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 416.18926 | 197.4 |
[M+Na]+ | 438.17120 | 202.4 |
[M-H]- | 414.17470 | 201.8 |
[M+NH4]+ | 433.21580 | 203.5 |
[M+K]+ | 454.14514 | 197.2 |
[M+H-H2O]+ | 398.17924 | 183.6 |
[M+HCOO]- | 460.18018 | 217.2 |
[M+CH3COO]- | 474.19583 | 235.2 |
[M+Na-2H]- | 436.15665 | 199.9 |
[M]+ | 415.18143 | 196.3 |
[M]- | 415.18253 | 196.3 |