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 185.8
[M+Na]+ 373.16352 193.6
[M-H]- 349.16702 191.0
[M+NH4]+ 368.20812 195.5
[M+K]+ 389.13746 187.8
[M+H-H2O]+ 333.17156 175.6
[M+HCOO]- 395.17250 203.7
[M+CH3COO]- 409.18815 216.8
[M+Na-2H]- 371.14897 183.8
[M]+ 350.17375 186.1
[M]- 350.17485 186.1
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.