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]+ 385.248576 196.4
[M+Na]+ 407.230518 203.4
[M-H]- 383.234024 203.2
[M+NH4]+ 402.275123 207.6
[M+K]+ 423.204458 199.4
[M+H-H2O]+ 367.238560 185.3
[M+HCOO]- 429.239501 212.4
[M+CH3COO]- 443.255151 223.8
[M+Na-2H]- 405.215966 196.0
[M]+ 384.24075142 199.4
[M]- 384.24184858 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.