CID 25115967

Utatrectinib

Structural Information

Molecular Formula
C18H19FN8O
SMILES
C[C@@H](C1=NC=C(C=N1)F)NC2=NC3=C(C=C2)N=CN3C4=CC(=NN4)OC(C)C
InChI
InChI=1S/C18H19FN8O/c1-10(2)28-16-6-15(25-26-16)27-9-22-13-4-5-14(24-18(13)27)23-11(3)17-20-7-12(19)8-21-17/h4-11H,1-3H3,(H,23,24)(H,25,26)/t11-/m0/s1
InChIKey
AYOOGWWGECJQPI-NSHDSACASA-N
Compound name
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

6952
Patents

382.1666 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17388 186.9
[M+Na]+ 405.15582 196.5
[M-H]- 381.15932 188.5
[M+NH4]+ 400.20042 192.7
[M+K]+ 421.12976 189.5
[M+H-H2O]+ 365.16386 174.4
[M+HCOO]- 427.16480 201.2
[M+CH3COO]- 441.18045 194.9
[M+Na-2H]- 403.14127 188.0
[M]+ 382.16605 188.8
[M]- 382.16715 188.8
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