CID 118955396

Olutasidenib

Structural Information

Molecular Formula
C18H15ClN4O2
SMILES
C[C@@H](C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#N
InChI
InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1
InChIKey
NEQYWYXGTJDAKR-JTQLQIEISA-N
Compound name
5-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

13
References

148
Patents

354.08835 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09563 182.3
[M+Na]+ 377.07757 197.4
[M+NH4]+ 372.12217 185.6
[M+K]+ 393.05151 186.5
[M-H]- 353.08107 178.4
[M+Na-2H]- 375.06302 186.2
[M]+ 354.08780 182.8
[M]- 354.08890 182.8
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