CID 214043

27588-46-1

Structural Information

Molecular Formula
C23H32N2O3
SMILES
COC1=CC=C(C=C1)C(CCN2CCN(CC2)CC(C3=CC=CC=C3)OC)O
InChI
InChI=1S/C23H32N2O3/c1-27-21-10-8-19(9-11-21)22(26)12-13-24-14-16-25(17-15-24)18-23(28-2)20-6-4-3-5-7-20/h3-11,22-23,26H,12-18H2,1-2H3
InChIKey
ROAVLUMRRORJIL-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2413 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 196.2
[M+Na]+ 407.23052 197.2
[M-H]- 383.23402 199.7
[M+NH4]+ 402.27512 203.1
[M+K]+ 423.20446 192.9
[M+H-H2O]+ 367.23856 184.4
[M+HCOO]- 429.23950 208.7
[M+CH3COO]- 443.25515 218.6
[M+Na-2H]- 405.21597 194.8
[M]+ 384.24075 194.1
[M]- 384.24185 194.1
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.