CID 6450813

Indiplon

Structural Information

Molecular Formula
C20H16N4O2S
SMILES
CC(=O)N(C)C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4
InChI
InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
InChIKey
CBIAWPMZSFFRGN-UHFFFAOYSA-N
Compound name
N-methyl-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

75
References

3647
Patents

376.0994 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10668 184.3
[M+Na]+ 399.08862 198.0
[M+NH4]+ 394.13322 191.5
[M+K]+ 415.06256 193.4
[M-H]- 375.09212 189.3
[M+Na-2H]- 397.07407 193.0
[M]+ 376.09885 188.1
[M]- 376.09995 188.1
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

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