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
7
Annotation Hits

13
References

149
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 185.9
[M+Na]+ 377.07757 198.4
[M-H]- 353.08107 188.3
[M+NH4]+ 372.12217 195.8
[M+K]+ 393.05151 189.3
[M+H-H2O]+ 337.08561 170.8
[M+HCOO]- 399.08655 197.1
[M+CH3COO]- 413.10220 194.2
[M+Na-2H]- 375.06302 187.7
[M]+ 354.08780 182.9
[M]- 354.08890 182.9
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