CID 90467376

Sdi-118

Structural Information

Molecular Formula
C13H10ClF3N4O
SMILES
C1[C@@H](CN(C1=O)CN2C(=NC=N2)Cl)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C13H10ClF3N4O/c14-13-18-5-19-21(13)6-20-4-8(3-11(20)22)7-1-9(15)12(17)10(16)2-7/h1-2,5,8H,3-4,6H2/t8-/m0/s1
InChIKey
GPGBFZCJDZALPN-QMMMGPOBSA-N
Compound name
(4R)-1-[(5-chloro-1,2,4-triazol-1-yl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

330.04953 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.05681 173.1
[M+Na]+ 353.03875 183.5
[M+NH4]+ 348.08335 177.3
[M+K]+ 369.01269 180.9
[M-H]- 329.04225 171.1
[M+Na-2H]- 351.02420 176.7
[M]+ 330.04898 173.8
[M]- 330.05008 173.8
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