CID 5329450

L-21649

Structural Information

Molecular Formula
C23H24N4OS
SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CSC=C5)N=C3
InChI
InChI=1S/C23H24N4OS/c1-2-9-26(10-3-1)11-12-28-21-6-4-18(5-7-21)20-14-24-23-22(15-25-27(23)16-20)19-8-13-29-17-19/h4-8,13-17H,1-3,9-12H2
InChIKey
VOYMOBPSYVKQGF-UHFFFAOYSA-N
Compound name
6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

82
Patents

404.16708 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.17436 194.4
[M+Na]+ 427.15630 202.6
[M-H]- 403.15980 203.2
[M+NH4]+ 422.20090 204.6
[M+K]+ 443.13024 195.4
[M+H-H2O]+ 387.16434 183.6
[M+HCOO]- 449.16528 207.5
[M+CH3COO]- 463.18093 203.3
[M+Na-2H]- 425.14175 192.2
[M]+ 404.16653 196.1
[M]- 404.16763 196.1
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.