CID 13591224

Cor 2838

Structural Information

Molecular Formula
C25H37N3O2
SMILES
CC1=CC(=C(C=C1O)C(C)C)OCCN(C)CCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C25H37N3O2/c1-20(2)23-19-24(29)21(3)18-25(23)30-17-16-26(4)10-11-27-12-14-28(15-13-27)22-8-6-5-7-9-22/h5-9,18-20,29H,10-17H2,1-4H3
InChIKey
SFOLQRRVLXFAKM-UHFFFAOYSA-N
Compound name
2-methyl-4-[2-[methyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]ethoxy]-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

411.28857 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.29585 206.1
[M+Na]+ 434.27779 207.9
[M-H]- 410.28129 211.4
[M+NH4]+ 429.32239 213.0
[M+K]+ 450.25173 203.4
[M+H-H2O]+ 394.28583 194.1
[M+HCOO]- 456.28677 220.3
[M+CH3COO]- 470.30242 232.3
[M+Na-2H]- 432.26324 203.2
[M]+ 411.28802 205.4
[M]- 411.28912 205.4
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

No patent data available for this compound.