CID 21066379

(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol

Structural Information

Molecular Formula
C19H17N5O
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)CO
InChI
InChI=1S/C19H17N5O/c25-13-16-12-22-24-18(21-11-14-5-4-8-20-10-14)9-17(23-19(16)24)15-6-2-1-3-7-15/h1-10,12,21,25H,11,13H2
InChIKey
RBLKWWBHDUBPFN-UHFFFAOYSA-N
Compound name
[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

331.1433 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15058 176.6
[M+Na]+ 354.13252 185.9
[M-H]- 330.13602 181.5
[M+NH4]+ 349.17712 186.4
[M+K]+ 370.10646 178.0
[M+H-H2O]+ 314.14056 164.9
[M+HCOO]- 376.14150 196.6
[M+CH3COO]- 390.15715 186.5
[M+Na-2H]- 352.11797 183.7
[M]+ 331.14275 177.7
[M]- 331.14385 177.7
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