CID 68977099
Schembl4257096
Structural Information
- Molecular Formula
- C30H26F2N6O
- SMILES
- CC(C)(C(C1CN(C1)C(C2=CC=C(C=C2)C#N)C3=CC=CC(=C3)C4=NN=C(O4)N)C5=CC(=CC(=C5)C#N)F)F
- InChI
- InChI=1S/C30H26F2N6O/c1-30(2,32)26(23-10-19(15-34)11-25(31)13-23)24-16-38(17-24)27(20-8-6-18(14-33)7-9-20)21-4-3-5-22(12-21)28-36-37-29(35)39-28/h3-13,24,26-27H,16-17H2,1-2H3,(H2,35,37)
- InChIKey
- AKSVEYGFHNXCSL-UHFFFAOYSA-N
- Compound name
- 3-[1-[1-[[3-(5-amino-1,3,4-oxadiazol-2-yl)phenyl]-(4-cyanophenyl)methyl]azetidin-3-yl]-2-fluoro-2-methylpropyl]-5-fluorobenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 525.22088 | 213.9 |
[M+Na]+ | 547.20282 | 219.3 |
[M-H]- | 523.20632 | 215.0 |
[M+NH4]+ | 542.24742 | 208.9 |
[M+K]+ | 563.17676 | 215.4 |
[M+H-H2O]+ | 507.21086 | 188.1 |
[M+HCOO]- | 569.21180 | 216.1 |
[M+CH3COO]- | 583.22745 | 214.0 |
[M+Na-2H]- | 545.18827 | 207.2 |
[M]+ | 524.21305 | 207.6 |
[M]- | 524.21415 | 207.6 |
Literature stripe
No literature data available for this compound.