CID 126567187

Lorundrostat

Structural Information

Molecular Formula
C24H33N7O2
SMILES
CC1=CC=C(C=C1)C2=CN=NC(=N2)N3CCN(CC3)CC(=O)NC4CCC(CC4)NC(=O)C
InChI
InChI=1S/C24H33N7O2/c1-17-3-5-19(6-4-17)22-15-25-29-24(28-22)31-13-11-30(12-14-31)16-23(33)27-21-9-7-20(8-10-21)26-18(2)32/h3-6,15,20-21H,7-14,16H2,1-2H3,(H,26,32)(H,27,33)
InChIKey
YHGVDZULVMINCJ-UHFFFAOYSA-N
Compound name
N-(4-acetamidocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

451.26956 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.27684 210.3
[M+Na]+ 474.25878 220.6
[M+NH4]+ 469.30338 213.9
[M+K]+ 490.23272 214.7
[M-H]- 450.26228 215.1
[M+Na-2H]- 472.24423 216.8
[M]+ 451.26901 212.6
[M]- 451.27011 212.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe