CID 3044444

57263-18-0

Structural Information

Molecular Formula
C27H39N3O
SMILES
CC(C)CC1=CC=C(C=C1)C2(C(C(C2(C)C)N3CCN(CC3)C4=CC=CC=N4)(C)C)O
InChI
InChI=1S/C27H39N3O/c1-20(2)19-21-10-12-22(13-11-21)27(31)25(3,4)24(26(27,5)6)30-17-15-29(16-18-30)23-9-7-8-14-28-23/h7-14,20,24,31H,15-19H2,1-6H3
InChIKey
HKLGLJWHDDAUMZ-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethyl-1-[4-(2-methylpropyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

421.30933 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.31661 211.1
[M+Na]+ 444.29855 215.7
[M-H]- 420.30205 217.3
[M+NH4]+ 439.34315 216.0
[M+K]+ 460.27249 213.0
[M+H-H2O]+ 404.30659 195.1
[M+HCOO]- 466.30753 220.1
[M+CH3COO]- 480.32318 230.6
[M+Na-2H]- 442.28400 208.9
[M]+ 421.30878 216.8
[M]- 421.30988 216.8
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