CID 25111

Brn 2822556

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC
InChI
InChI=1S/C22H28N2O4/c1-4-24(5-2)15-16-28-22(26)17-11-13-18(14-12-17)23-21(25)19-9-7-8-10-20(19)27-6-3/h7-14H,4-6,15-16H2,1-3H3,(H,23,25)
InChIKey
DWQFBECDUHHREM-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[(2-ethoxybenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2049 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 195.4
[M+Na]+ 407.19412 198.3
[M-H]- 383.19762 202.4
[M+NH4]+ 402.23872 206.5
[M+K]+ 423.16806 196.5
[M+H-H2O]+ 367.20216 185.3
[M+HCOO]- 429.20310 218.7
[M+CH3COO]- 443.21875 228.6
[M+Na-2H]- 405.17957 195.4
[M]+ 384.20435 200.6
[M]- 384.20545 200.6
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.