CID 137408242

Flizasertib

Structural Information

Molecular Formula
C15H14FN3O
SMILES
C1CC1C(=O)C2=NN3[C@@H](C[C@@H](C3=N2)F)C4=CC=CC=C4
InChI
InChI=1S/C15H14FN3O/c16-11-8-12(9-4-2-1-3-5-9)19-15(11)17-14(18-19)13(20)10-6-7-10/h1-5,10-12H,6-8H2/t11-,12-/m0/s1
InChIKey
LMXPZWQVDDSYHH-RYUDHWBXSA-N
Compound name
cyclopropyl-[(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

271.1121 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11938 164.3
[M+Na]+ 294.10132 175.1
[M-H]- 270.10482 170.6
[M+NH4]+ 289.14592 176.2
[M+K]+ 310.07526 168.8
[M+H-H2O]+ 254.10936 154.9
[M+HCOO]- 316.11030 182.9
[M+CH3COO]- 330.12595 175.4
[M+Na-2H]- 292.08677 163.9
[M]+ 271.11155 165.3
[M]- 271.11265 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe