CID 40012

2-(diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate

Structural Information

Molecular Formula
C28H40N2O4
SMILES
CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC
InChI
InChI=1S/C28H40N2O4/c1-4-7-8-9-10-13-21-33-26-15-12-11-14-25(26)27(31)29-24-18-16-23(17-19-24)28(32)34-22-20-30(5-2)6-3/h11-12,14-19H,4-10,13,20-22H2,1-3H3,(H,29,31)
InChIKey
QOTIDDHANGFPGH-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[(2-octoxybenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

468.2988 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.30608 222.3
[M+Na]+ 491.28802 222.4
[M-H]- 467.29152 228.0
[M+NH4]+ 486.33262 229.8
[M+K]+ 507.26196 219.3
[M+H-H2O]+ 451.29606 211.0
[M+HCOO]- 513.29700 243.4
[M+CH3COO]- 527.31265 246.0
[M+Na-2H]- 489.27347 219.2
[M]+ 468.29825 229.5
[M]- 468.29935 229.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.