CID 118001

27468-67-3

Structural Information

Molecular Formula
C27H40N2O6
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N(CCN(CC)CC)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C27H40N2O6/c1-7-10-17-34-22-11-13-23(14-12-22)35-20-26(30)29(16-15-28(8-2)9-3)21-18-24(31-4)27(33-6)25(19-21)32-5/h11-14,18-19H,7-10,15-17,20H2,1-6H3
InChIKey
SMNJTKMBQYEZEV-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenoxy)-N-[2-(diethylamino)ethyl]-N-(3,4,5-trimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.28864 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.29592 223.8
[M+Na]+ 511.27786 225.8
[M-H]- 487.28136 231.7
[M+NH4]+ 506.32246 231.6
[M+K]+ 527.25180 226.1
[M+H-H2O]+ 471.28590 212.3
[M+HCOO]- 533.28684 246.9
[M+CH3COO]- 547.30249 253.4
[M+Na-2H]- 509.26331 220.7
[M]+ 488.28809 237.0
[M]- 488.28919 237.0
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.