CID 71535962

Baxdrostat

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CCC(=O)N[C@@H]1CCCC2=C1C=NC=C2C3=CC4=C(C=C3)N(C(=O)CC4)C
InChI
InChI=1S/C22H25N3O2/c1-3-21(26)24-19-6-4-5-16-17(12-23-13-18(16)19)14-7-9-20-15(11-14)8-10-22(27)25(20)2/h7,9,11-13,19H,3-6,8,10H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKey
VDEUDSRUMNAXJG-LJQANCHMSA-N
Compound name
N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

28
Patents

363.19467 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 189.3
[M+Na]+ 386.18389 194.6
[M-H]- 362.18739 193.7
[M+NH4]+ 381.22849 200.4
[M+K]+ 402.15783 188.4
[M+H-H2O]+ 346.19193 178.3
[M+HCOO]- 408.19287 202.3
[M+CH3COO]- 422.20852 197.1
[M+Na-2H]- 384.16934 191.0
[M]+ 363.19412 185.5
[M]- 363.19522 185.5
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

No patent data available for this compound.