CID 5329447

515880-75-8

Structural Information

Molecular Formula
C24H24N4O2
SMILES
C1COCCN1CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=CC=C5)N=C3
InChI
InChI=1S/C24H24N4O2/c1-2-4-20(5-3-1)23-17-26-28-18-21(16-25-24(23)28)19-6-8-22(9-7-19)30-15-12-27-10-13-29-14-11-27/h1-9,16-18H,10-15H2
InChIKey
SKZQZGSPYYHTQG-UHFFFAOYSA-N
Compound name
4-[2-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

296
Patents

400.1899 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19718 196.6
[M+Na]+ 423.17912 203.0
[M-H]- 399.18262 204.6
[M+NH4]+ 418.22372 202.0
[M+K]+ 439.15306 196.5
[M+H-H2O]+ 383.18716 182.5
[M+HCOO]- 445.18810 211.2
[M+CH3COO]- 459.20375 204.3
[M+Na-2H]- 421.16457 199.3
[M]+ 400.18935 196.2
[M]- 400.19045 196.2
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