CID 118753121

Uaw79ye7gf

Structural Information

Molecular Formula
C17H24F2N6O2
SMILES
C1CN(CC1(F)F)C(=O)[C@@H]2C[C@@H](CN2)N3CCN(CC3)C4=NC=C(C=N4)O
InChI
InChI=1S/C17H24F2N6O2/c18-17(19)1-2-25(11-17)15(27)14-7-12(8-20-14)23-3-5-24(6-4-23)16-21-9-13(26)10-22-16/h9-10,12,14,20,26H,1-8,11H2/t12-,14-/m0/s1
InChIKey
KVBSCTHYNPVKDO-JSGCOSHPSA-N
Compound name
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-(5-hydroxypyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.19287 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.20015 189.7
[M+Na]+ 405.18209 193.8
[M-H]- 381.18559 189.1
[M+NH4]+ 400.22669 196.3
[M+K]+ 421.15603 187.9
[M+H-H2O]+ 365.19013 175.9
[M+HCOO]- 427.19107 193.8
[M+CH3COO]- 441.20672 194.5
[M+Na-2H]- 403.16754 182.6
[M]+ 382.19232 177.6
[M]- 382.19342 177.6
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

No patent data available for this compound.