CID 3040922

53087-94-8

Structural Information

Molecular Formula
C23H31N3O2
SMILES
CC1(C(C(C1(C2=CC=C(C=C2)O)O)(C)C)N3CCN(CC3)C4=CC=CC=N4)C
InChI
InChI=1S/C23H31N3O2/c1-21(2)20(22(3,4)23(21,28)17-8-10-18(27)11-9-17)26-15-13-25(14-16-26)19-7-5-6-12-24-19/h5-12,20,27-28H,13-16H2,1-4H3
InChIKey
OKMSTVKCHDVYTP-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

381.24164 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.24892 198.5
[M+Na]+ 404.23086 204.6
[M-H]- 380.23436 204.2
[M+NH4]+ 399.27546 204.4
[M+K]+ 420.20480 201.9
[M+H-H2O]+ 364.23890 183.2
[M+HCOO]- 426.23984 208.5
[M+CH3COO]- 440.25549 205.5
[M+Na-2H]- 402.21631 199.1
[M]+ 381.24109 203.3
[M]- 381.24219 203.3
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

patents stripe