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]+ 463.25914 217.9
[M+Na]+ 485.24108 220.9
[M-H]- 461.24458 229.2
[M+NH4]+ 480.28568 226.2
[M+K]+ 501.21502 219.1
[M+H-H2O]+ 445.24912 205.6
[M+HCOO]- 507.25006 241.3
[M+CH3COO]- 521.26571 248.1
[M+Na-2H]- 483.22653 216.2
[M]+ 462.25131 225.6
[M]- 462.25241 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.