CID 51039095

Azd4547

Structural Information

Molecular Formula
C26H33N5O3
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC
InChI
InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)/t17-,18+
InChIKey
VRQMAABPASPXMW-HDICACEKSA-N
Compound name
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

133
References

2881
Patents

463.25833 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.26561 217.7
[M+Na]+ 486.24755 229.3
[M+NH4]+ 481.29215 221.4
[M+K]+ 502.22149 224.7
[M-H]- 462.25105 222.0
[M+Na-2H]- 484.23300 223.3
[M]+ 463.25778 220.2
[M]- 463.25888 220.2
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