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]+ 385.212176 195.4
[M+Na]+ 407.194118 198.3
[M-H]- 383.197624 202.4
[M+NH4]+ 402.238723 206.5
[M+K]+ 423.168058 196.5
[M+H-H2O]+ 367.202160 185.3
[M+HCOO]- 429.203101 218.7
[M+CH3COO]- 443.218751 228.6
[M+Na-2H]- 405.179566 195.4
[M]+ 384.20435142 200.6
[M]- 384.20544858 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.