CID 3040924

53087-96-0

Structural Information

Molecular Formula
C26H36N2O3
SMILES
CC1(C(C(C1(C2=CC(=C(C=C2)OC)OC)O)(C)C)N3CCN(CC3)C4=CC=CC=C4)C
InChI
InChI=1S/C26H36N2O3/c1-24(2)23(28-16-14-27(15-17-28)20-10-8-7-9-11-20)25(3,4)26(24,29)19-12-13-21(30-5)22(18-19)31-6/h7-13,18,23,29H,14-17H2,1-6H3
InChIKey
SWHTXYDQCMPJCM-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2,2,4,4-tetramethyl-3-(4-phenylpiperazin-1-yl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

424.27258 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.27986 206.7
[M+Na]+ 447.26180 212.5
[M-H]- 423.26530 214.8
[M+NH4]+ 442.30640 213.1
[M+K]+ 463.23574 211.1
[M+H-H2O]+ 407.26984 191.7
[M+HCOO]- 469.27078 218.6
[M+CH3COO]- 483.28643 229.7
[M+Na-2H]- 445.24725 206.0
[M]+ 424.27203 215.5
[M]- 424.27313 215.5
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