CID 185459

Bifeprofen hydrochloride

Structural Information

Molecular Formula
C22H25ClN2O3
SMILES
CC(C1=CC=C(C=C1)C2=CC=CC=C2Cl)C(=O)OCC(=O)N3CCN(CC3)C
InChI
InChI=1S/C22H25ClN2O3/c1-16(22(27)28-15-21(26)25-13-11-24(2)12-14-25)17-7-9-18(10-8-17)19-5-3-4-6-20(19)23/h3-10,16H,11-15H2,1-2H3
InChIKey
UGBNNXAIXQVUOI-UHFFFAOYSA-N
Compound name
[2-(4-methylpiperazin-1-yl)-2-oxoethyl] 2-[4-(2-chlorophenyl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

400.15536 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16264 194.6
[M+Na]+ 423.14458 198.8
[M-H]- 399.14808 200.2
[M+NH4]+ 418.18918 202.8
[M+K]+ 439.11852 193.4
[M+H-H2O]+ 383.15262 183.9
[M+HCOO]- 445.15356 203.9
[M+CH3COO]- 459.16921 221.0
[M+Na-2H]- 421.13003 192.1
[M]+ 400.15481 194.8
[M]- 400.15591 194.8
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