CID 45053710

Akos024411375

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3O
InChI
InChI=1S/C22H28N2O3/c1-22(2,3)27-21(26)24-15-13-23(14-16-24)20(17-9-5-4-6-10-17)18-11-7-8-12-19(18)25/h4-12,20,25H,13-16H2,1-3H3
InChIKey
WFSYGBQBDFJAIJ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(2-hydroxyphenyl)-phenylmethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.217276 191.1
[M+Na]+ 391.199218 193.7
[M-H]- 367.202724 195.5
[M+NH4]+ 386.243823 199.1
[M+K]+ 407.173158 189.7
[M+H-H2O]+ 351.207260 180.7
[M+HCOO]- 413.208201 202.7
[M+CH3COO]- 427.223851 213.6
[M+Na-2H]- 389.184666 191.4
[M]+ 368.20945142 187.5
[M]- 368.21054858 187.5
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.