CID 12004146

Lorediplon

Structural Information

Molecular Formula
C20H15FN4O2S
SMILES
CC(=O)N(C)C1=C(C=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4)F
InChI
InChI=1S/C20H15FN4O2S/c1-12(26)24(2)17-10-13(5-6-15(17)21)16-7-8-22-20-14(11-23-25(16)20)19(27)18-4-3-9-28-18/h3-11H,1-2H3
InChIKey
NQPOCLFSADOXBR-UHFFFAOYSA-N
Compound name
N-[2-fluoro-5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

244
Patents

394.08997 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.09725 191.0
[M+Na]+ 417.07919 201.7
[M-H]- 393.08269 200.2
[M+NH4]+ 412.12379 203.9
[M+K]+ 433.05313 196.7
[M+H-H2O]+ 377.08723 181.6
[M+HCOO]- 439.08817 208.1
[M+CH3COO]- 453.10382 202.0
[M+Na-2H]- 415.06464 188.8
[M]+ 394.08942 197.2
[M]- 394.09052 197.2
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