CID 60182388

Ldn-212854

Structural Information

Molecular Formula
C25H22N6
SMILES
C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=C6C=CC=NC6=CC=C5)N=C3
InChI
InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
InChIKey
BBDGBGOVJPEFBT-UHFFFAOYSA-N
Compound name
5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

604
Patents

406.19058 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19786 200.1
[M+Na]+ 429.17980 207.7
[M-H]- 405.18330 204.7
[M+NH4]+ 424.22440 204.0
[M+K]+ 445.15374 196.3
[M+H-H2O]+ 389.18784 184.7
[M+HCOO]- 451.18878 210.0
[M+CH3COO]- 465.20443 206.0
[M+Na-2H]- 427.16525 203.4
[M]+ 406.19003 195.0
[M]- 406.19113 195.0
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