CID 44200882
Rad140
Structural Information
- Molecular Formula
- C20H16ClN5O2
- SMILES
- CC1=C(C=CC(=C1Cl)C#N)N[C@@H](C2=NN=C(O2)C3=CC=C(C=C3)C#N)[C@H](C)O
- InChI
- InChI=1S/C20H16ClN5O2/c1-11-16(8-7-15(10-23)17(11)21)24-18(12(2)27)20-26-25-19(28-20)14-5-3-13(9-22)4-6-14/h3-8,12,18,24,27H,1-2H3/t12-,18+/m0/s1
- InChIKey
- XMBUPPIEVAFYHO-KPZWWZAWSA-N
- Compound name
- 2-chloro-4-[[(1R,2S)-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]-3-methylbenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 394.10652 | 193.9 |
[M+Na]+ | 416.08846 | 203.6 |
[M-H]- | 392.09196 | 196.1 |
[M+NH4]+ | 411.13306 | 198.7 |
[M+K]+ | 432.06240 | 196.8 |
[M+H-H2O]+ | 376.09650 | 175.2 |
[M+HCOO]- | 438.09744 | 199.3 |
[M+CH3COO]- | 452.11309 | 197.8 |
[M+Na-2H]- | 414.07391 | 190.6 |
[M]+ | 393.09869 | 187.1 |
[M]- | 393.09979 | 187.1 |