CID 71241

Mafoprazine

Structural Information

Molecular Formula
C22H28FN3O3
SMILES
CC(=O)NC1=CC(=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3F)OC
InChI
InChI=1S/C22H28FN3O3/c1-17(27)24-18-8-9-21(22(16-18)28-2)29-15-5-10-25-11-13-26(14-12-25)20-7-4-3-6-19(20)23/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,24,27)
InChIKey
PHOCQBYGUQPMIB-UHFFFAOYSA-N
Compound name
N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

45
Patents

401.21146 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21874 198.5
[M+Na]+ 424.20068 202.2
[M-H]- 400.20418 202.9
[M+NH4]+ 419.24528 205.7
[M+K]+ 440.17462 197.3
[M+H-H2O]+ 384.20872 185.6
[M+HCOO]- 446.20966 214.0
[M+CH3COO]- 460.22531 226.1
[M+Na-2H]- 422.18613 197.7
[M]+ 401.21091 196.9
[M]- 401.21201 196.9
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

No patent data available for this compound.