CID 3046827

Brn 0568725

Structural Information

Molecular Formula
C23H32N2O3
SMILES
C[C@H]1CN(CC(N1CC2=C(C(=C(C=C2)OC)OC)OC)(C)C)C3=CC=CC=C3
InChI
InChI=1S/C23H32N2O3/c1-17-14-24(19-10-8-7-9-11-19)16-23(2,3)25(17)15-18-12-13-20(26-4)22(28-6)21(18)27-5/h7-13,17H,14-16H2,1-6H3/t17-/m0/s1
InChIKey
KKPBRWXWLUFXEC-KRWDZBQOSA-N
Compound name
(6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2413 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 196.4
[M+Na]+ 407.23052 203.4
[M-H]- 383.23402 203.2
[M+NH4]+ 402.27512 207.6
[M+K]+ 423.20446 199.4
[M+H-H2O]+ 367.23856 185.3
[M+HCOO]- 429.23950 212.4
[M+CH3COO]- 443.25515 223.8
[M+Na-2H]- 405.21597 196.0
[M]+ 384.24075 199.4
[M]- 384.24185 199.4
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.