CID 74223726

Pf2562

Structural Information

Molecular Formula
C19H17N5O
SMILES
CC1=C(C=CC(=C1)OC2=NC=CC3=C2C=NN3)C4=C(N=CN=C4C)C
InChI
InChI=1S/C19H17N5O/c1-11-8-14(25-19-16-9-23-24-17(16)6-7-20-19)4-5-15(11)18-12(2)21-10-22-13(18)3/h4-10H,1-3H3,(H,23,24)
InChIKey
IDIUJOHYYBNCPC-UHFFFAOYSA-N
Compound name
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

331.1433 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15058 182.1
[M+Na]+ 354.13252 194.1
[M-H]- 330.13602 186.3
[M+NH4]+ 349.17712 191.3
[M+K]+ 370.10646 185.7
[M+H-H2O]+ 314.14056 170.3
[M+HCOO]- 376.14150 199.5
[M+CH3COO]- 390.15715 192.2
[M+Na-2H]- 352.11797 186.3
[M]+ 331.14275 185.0
[M]- 331.14385 185.0
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