CID 50997747

4-[6-[4-(1-methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

Structural Information

Molecular Formula
C24H20N4O
SMILES
CC(C)OC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=NC5=CC=CC=C45)N=C2
InChI
InChI=1S/C24H20N4O/c1-16(2)29-19-9-7-17(8-10-19)18-13-26-24-22(14-27-28(24)15-18)20-11-12-25-23-6-4-3-5-21(20)23/h3-16H,1-2H3
InChIKey
JMIFGARJSWXZSH-UHFFFAOYSA-N
Compound name
4-[6-(4-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

1203
Patents

380.1637 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17098 194.5
[M+Na]+ 403.15292 204.4
[M-H]- 379.15642 201.3
[M+NH4]+ 398.19752 203.9
[M+K]+ 419.12686 196.2
[M+H-H2O]+ 363.16096 181.6
[M+HCOO]- 425.16190 211.5
[M+CH3COO]- 439.17755 203.7
[M+Na-2H]- 401.13837 198.9
[M]+ 380.16315 197.7
[M]- 380.16425 197.7
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