CID 129087045

Azd-8075

Structural Information

Molecular Formula
C21H21ClFNO4
SMILES
CC1(CCCN1C(=O)C2=C(C=C(C=C2)C3=C(C=CC(=C3)F)OCC(=O)O)Cl)C
InChI
InChI=1S/C21H21ClFNO4/c1-21(2)8-3-9-24(21)20(27)15-6-4-13(10-17(15)22)16-11-14(23)5-7-18(16)28-12-19(25)26/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,25,26)
InChIKey
JBWZKSTUPNBNIT-UHFFFAOYSA-N
Compound name
2-[2-[3-chloro-4-(2,2-dimethylpyrrolidine-1-carbonyl)phenyl]-4-fluorophenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

405.11432 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.12160 191.4
[M+Na]+ 428.10354 199.7
[M-H]- 404.10704 197.7
[M+NH4]+ 423.14814 204.9
[M+K]+ 444.07748 193.8
[M+H-H2O]+ 388.11158 183.2
[M+HCOO]- 450.11252 203.5
[M+CH3COO]- 464.12817 219.0
[M+Na-2H]- 426.08899 188.0
[M]+ 405.11377 193.6
[M]- 405.11487 193.6
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