CID 3072547

143288-15-7

Structural Information

Molecular Formula
C28H34N2O4
SMILES
CCN(CC)CCN(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C28H34N2O4/c1-6-29(7-2)17-18-30(24-15-13-22(14-16-24)21-11-9-8-10-12-21)28(31)23-19-25(32-3)27(34-5)26(20-23)33-4/h8-16,19-20H,6-7,17-18H2,1-5H3
InChIKey
BUIKJOVOKPYVCT-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-3,4,5-trimethoxy-N-(4-phenylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.25186 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.259136 217.9
[M+Na]+ 485.241078 220.9
[M-H]- 461.244584 229.2
[M+NH4]+ 480.285683 226.2
[M+K]+ 501.215018 219.1
[M+H-H2O]+ 445.249120 205.6
[M+HCOO]- 507.250061 241.3
[M+CH3COO]- 521.265711 248.1
[M+Na-2H]- 483.226526 216.2
[M]+ 462.25131142 225.6
[M]- 462.25240858 225.6
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.