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

10
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

literature stripe

Patent stripe

patents stripe