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
3
Annotation Hits

3
References

40
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

literature stripe

Patent stripe

patents stripe