CID 21066087

5-(2,3-dichlorophenyl)-n-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

Structural Information

Molecular Formula
C18H13Cl2N5
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=NC3=CC=NN3C(=C2)NCC4=CC=NC=C4
InChI
InChI=1S/C18H13Cl2N5/c19-14-3-1-2-13(18(14)20)15-10-17(25-16(24-15)6-9-23-25)22-11-12-4-7-21-8-5-12/h1-10,22H,11H2
InChIKey
CVYWYUAQFJMLEO-UHFFFAOYSA-N
Compound name
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

29
Patents

369.0548 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.06208 183.0
[M+Na]+ 392.04402 195.0
[M-H]- 368.04752 187.9
[M+NH4]+ 387.08862 193.4
[M+K]+ 408.01796 185.5
[M+H-H2O]+ 352.05206 171.0
[M+HCOO]- 414.05300 194.4
[M+CH3COO]- 428.06865 192.9
[M+Na-2H]- 390.02947 188.3
[M]+ 369.05425 187.8
[M]- 369.05535 187.8
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