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]+ 489.295916 223.8
[M+Na]+ 511.277858 225.8
[M-H]- 487.281364 231.7
[M+NH4]+ 506.322463 231.6
[M+K]+ 527.251798 226.1
[M+H-H2O]+ 471.285900 212.3
[M+HCOO]- 533.286841 246.9
[M+CH3COO]- 547.302491 253.4
[M+Na-2H]- 509.263306 220.7
[M]+ 488.28809142 237.0
[M]- 488.28918858 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.