CID 44390222

Chembl181354

Structural Information

Molecular Formula
C19H14N4O2S
SMILES
CC(=O)NC1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4
InChI
InChI=1S/C19H14N4O2S/c1-12(24)22-14-5-2-4-13(10-14)16-7-8-20-19-15(11-21-23(16)19)18(25)17-6-3-9-26-17/h2-11H,1H3,(H,22,24)
InChIKey
KZQWYRRAKXJLDE-UHFFFAOYSA-N
Compound name
N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

362.08374 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09102 183.5
[M+Na]+ 385.07296 193.8
[M-H]- 361.07646 192.4
[M+NH4]+ 380.11756 196.9
[M+K]+ 401.04690 188.1
[M+H-H2O]+ 345.08100 175.1
[M+HCOO]- 407.08194 201.6
[M+CH3COO]- 421.09759 194.7
[M+Na-2H]- 383.05841 183.6
[M]+ 362.08319 188.6
[M]- 362.08429 188.6
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.