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

compound 2d structure
2
Annotation Hits

16
References

125
Patents

393.09924 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.10652 203.5
[M+Na]+ 416.08846 213.1
[M+NH4]+ 411.13306 202.8
[M+K]+ 432.06240 203.3
[M-H]- 392.09196 195.7
[M+Na-2H]- 414.07391 202.7
[M]+ 393.09869 201.6
[M]- 393.09979 201.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe