CID 6918493

Ambrisentan

Structural Information

Molecular Formula
C22H22N2O4
SMILES
CC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C
InChI
InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1
InChIKey
OUJTZYPIHDYQMC-LJQANCHMSA-N
Compound name
(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

433
References

9932
Patents

378.15796 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16524 190.2
[M+Na]+ 401.14718 204.1
[M+NH4]+ 396.19178 195.5
[M+K]+ 417.12112 198.4
[M-H]- 377.15068 193.6
[M+Na-2H]- 399.13263 199.5
[M]+ 378.15741 193.2
[M]- 378.15851 193.2
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