CID 87055263
Gdc-0927
Structural Information
- Molecular Formula
- C28H28FNO4
- SMILES
- CC1=C([C@@H](OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CC(C4)CF)C5=CC(=CC=C5)O
- InChI
- InChI=1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1
- InChIKey
- KJAAPZIFCQQQKX-NDEPHWFRSA-N
- Compound name
- (2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 462.20751 | 211.9 |
[M+Na]+ | 484.18945 | 217.1 |
[M-H]- | 460.19295 | 219.8 |
[M+NH4]+ | 479.23405 | 210.8 |
[M+K]+ | 500.16339 | 214.9 |
[M+H-H2O]+ | 444.19749 | 193.6 |
[M+HCOO]- | 506.19843 | 223.1 |
[M+CH3COO]- | 520.21408 | 218.2 |
[M+Na-2H]- | 482.17490 | 210.3 |
[M]+ | 461.19968 | 220.3 |
[M]- | 461.20078 | 220.3 |