CID 154726271

2408853-01-8

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CC1=C(C(=NN1)C)C2=CN=CC(=C2)C3=CC(=C(C=C3)C(=O)N)OC(C)C
InChI
InChI=1S/C20H22N4O2/c1-11(2)26-18-8-14(5-6-17(18)20(21)25)15-7-16(10-22-9-15)19-12(3)23-24-13(19)4/h5-11H,1-4H3,(H2,21,25)(H,23,24)
InChIKey
VQZTVBGPAZGVHT-UHFFFAOYSA-N
Compound name
4-[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl]-2-propan-2-yloxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

350.1743 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 186.1
[M+Na]+ 373.16352 199.1
[M+NH4]+ 368.20812 191.4
[M+K]+ 389.13746 195.3
[M-H]- 349.16702 189.7
[M+Na-2H]- 371.14897 192.9
[M]+ 350.17375 188.8
[M]- 350.17485 188.8
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

No patent data available for this compound.