CID 135446049

Bms-394136

Structural Information

Molecular Formula
C24H21Cl2FN4O
SMILES
CC1=C([C@H](N2C(=CC=N2)N1)C3=CC(=C(C=C3)Cl)Cl)C(=O)N4CCC[C@H]4C5=CC=C(C=C5)F
InChI
InChI=1S/C24H21Cl2FN4O/c1-14-22(24(32)30-12-2-3-20(30)15-4-7-17(27)8-5-15)23(31-21(29-14)10-11-28-31)16-6-9-18(25)19(26)13-16/h4-11,13,20,23,29H,2-3,12H2,1H3/t20-,23+/m0/s1
InChIKey
LADJRPDOKVCQCG-NZQKXSOJSA-N
Compound name
[(7R)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

470.10764 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.11492 210.3
[M+Na]+ 493.09686 225.5
[M+NH4]+ 488.14146 216.9
[M+K]+ 509.07080 219.9
[M-H]- 469.10036 214.5
[M+Na-2H]- 491.08231 216.4
[M]+ 470.10709 214.2
[M]- 470.10819 214.2
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