CID 3051137

Brn 2796270

Structural Information

Molecular Formula
C30H45NO7
SMILES
CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OCC)OCC)OCC)C(C)CC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C30H45NO7/c1-8-31(22(5)18-23-14-15-25(33-6)26(19-23)34-7)16-12-13-17-38-30(32)24-20-27(35-9-2)29(37-11-4)28(21-24)36-10-3/h14-15,19-22H,8-13,16-18H2,1-7H3
InChIKey
YEASFTCGNSYWIN-UHFFFAOYSA-N
Compound name
4-[1-(3,4-dimethoxyphenyl)propan-2-yl-ethylamino]butyl 3,4,5-triethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.3196 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.32688 235.3
[M+Na]+ 554.30882 237.1
[M-H]- 530.31232 241.6
[M+NH4]+ 549.35342 241.1
[M+K]+ 570.28276 236.8
[M+H-H2O]+ 514.31686 223.9
[M+HCOO]- 576.31780 254.9
[M+CH3COO]- 590.33345 257.7
[M+Na-2H]- 552.29427 229.2
[M]+ 531.31905 250.1
[M]- 531.32015 250.1
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.