CID 3040919

53087-69-7

Structural Information

Molecular Formula
C26H37N3O
SMILES
CC(C)C1=CC=C(C=C1)C2(C(C(C2(C)C)N3CCN(CC3)C4=CC=CC=N4)(C)C)O
InChI
InChI=1S/C26H37N3O/c1-19(2)20-10-12-21(13-11-20)26(30)24(3,4)23(25(26,5)6)29-17-15-28(16-18-29)22-9-7-8-14-27-22/h7-14,19,23,30H,15-18H2,1-6H3
InChIKey
OUCVMOGIAOHMQH-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethyl-1-(4-propan-2-ylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

407.29367 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.30095 207.0
[M+Na]+ 430.28289 212.0
[M-H]- 406.28639 213.4
[M+NH4]+ 425.32749 212.5
[M+K]+ 446.25683 209.5
[M+H-H2O]+ 390.29093 191.2
[M+HCOO]- 452.29187 216.3
[M+CH3COO]- 466.30752 227.9
[M+Na-2H]- 428.26834 205.3
[M]+ 407.29312 212.4
[M]- 407.29422 212.4
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