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]+ 369.21728 191.1
[M+Na]+ 391.19922 193.7
[M-H]- 367.20272 195.5
[M+NH4]+ 386.24382 199.1
[M+K]+ 407.17316 189.7
[M+H-H2O]+ 351.20726 180.7
[M+HCOO]- 413.20820 202.7
[M+CH3COO]- 427.22385 213.6
[M+Na-2H]- 389.18467 191.4
[M]+ 368.20945 187.5
[M]- 368.21055 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.