CID 50222

Enciprazine

Structural Information

Molecular Formula
C23H32N2O6
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC(=C(C(=C3)OC)OC)OC)O
InChI
InChI=1S/C23H32N2O6/c1-27-20-8-6-5-7-19(20)25-11-9-24(10-12-25)15-17(26)16-31-18-13-21(28-2)23(30-4)22(14-18)29-3/h5-8,13-14,17,26H,9-12,15-16H2,1-4H3
InChIKey
KSQCNASWXSCJTD-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

769
Patents

432.22604 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.233316 204.9
[M+Na]+ 455.215258 208.3
[M-H]- 431.218764 209.5
[M+NH4]+ 450.259863 210.4
[M+K]+ 471.189198 205.9
[M+H-H2O]+ 415.223300 192.9
[M+HCOO]- 477.224241 218.8
[M+CH3COO]- 491.239891 228.0
[M+Na-2H]- 453.200706 202.9
[M]+ 432.22549142 208.9
[M]- 432.22658858 208.9
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