CID 3040920

53087-70-0

Structural Information

Molecular Formula
C23H30ClN3O
SMILES
CC1(C(C(C1(C2=CC=C(C=C2)Cl)O)(C)C)N3CCN(CC3)C4=CC=CC=N4)C
InChI
InChI=1S/C23H30ClN3O/c1-21(2)20(22(3,4)23(21,28)17-8-10-18(24)11-9-17)27-15-13-26(14-16-27)19-7-5-6-12-25-19/h5-12,20,28H,13-16H2,1-4H3
InChIKey
TUTXHLRCKAIZEV-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2,2,4,4-tetramethyl-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

399.20773 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.215006 195.0
[M+Na]+ 422.196948 202.7
[M-H]- 398.200454 201.6
[M+NH4]+ 417.241553 202.0
[M+K]+ 438.170888 198.5
[M+H-H2O]+ 382.204990 179.9
[M+HCOO]- 444.205931 202.2
[M+CH3COO]- 458.221581 202.8
[M+Na-2H]- 420.182396 195.9
[M]+ 399.20718142 202.2
[M]- 399.20827858 202.2
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