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]+ 400.21501 195.0
[M+Na]+ 422.19695 202.7
[M-H]- 398.20045 201.6
[M+NH4]+ 417.24155 202.0
[M+K]+ 438.17089 198.5
[M+H-H2O]+ 382.20499 179.9
[M+HCOO]- 444.20593 202.2
[M+CH3COO]- 458.22158 202.8
[M+Na-2H]- 420.18240 195.9
[M]+ 399.20718 202.2
[M]- 399.20828 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