CID 146315728

Plazinemdor

Structural Information

Molecular Formula
C21H19ClF2N4O2
SMILES
CC1(CN(C1)C(=O)CN2C=NC3=C(C2=O)C(=CN3C4CC4)C5=CC(=C(C=C5)F)Cl)F
InChI
InChI=1S/C21H19ClF2N4O2/c1-21(24)9-27(10-21)17(29)8-26-11-25-19-18(20(26)30)14(7-28(19)13-3-4-13)12-2-5-16(23)15(22)6-12/h2,5-7,11,13H,3-4,8-10H2,1H3
InChIKey
NULHGWQIRTXKAY-UHFFFAOYSA-N
Compound name
5-(3-chloro-4-fluorophenyl)-7-cyclopropyl-3-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]pyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

432.11646 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.12374 199.1
[M+Na]+ 455.10568 210.3
[M+NH4]+ 450.15028 202.3
[M+K]+ 471.07962 205.9
[M-H]- 431.10918 204.5
[M+Na-2H]- 453.09113 205.5
[M]+ 432.11591 202.5
[M]- 432.11701 202.5
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