CID 66003

Efletirizine

Structural Information

Molecular Formula
C21H24F2N2O3
SMILES
C1CN(CCN1CCOCC(=O)O)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H24F2N2O3/c22-18-5-1-16(2-6-18)21(17-3-7-19(23)8-4-17)25-11-9-24(10-12-25)13-14-28-15-20(26)27/h1-8,21H,9-15H2,(H,26,27)
InChIKey
BAWMMJAUVBLLEE-UHFFFAOYSA-N
Compound name
2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2329
Patents

390.1755 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.18278 193.0
[M+Na]+ 413.16472 196.4
[M-H]- 389.16822 194.5
[M+NH4]+ 408.20932 199.8
[M+K]+ 429.13866 190.8
[M+H-H2O]+ 373.17276 180.0
[M+HCOO]- 435.17370 204.2
[M+CH3COO]- 449.18935 218.6
[M+Na-2H]- 411.15017 190.7
[M]+ 390.17495 188.0
[M]- 390.17605 188.0
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