CID 33297

Benzoic acid, 4-(2-methoxybenzamido)-, 2-(diethylamino)ethyl ester

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC
InChI
InChI=1S/C21H26N2O4/c1-4-23(5-2)14-15-27-21(25)16-10-12-17(13-11-16)22-20(24)18-8-6-7-9-19(18)26-3/h6-13H,4-5,14-15H2,1-3H3,(H,22,24)
InChIKey
YFKUXYQHJSZIFH-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[(2-methoxybenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18927 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.196546 190.8
[M+Na]+ 393.178488 194.2
[M-H]- 369.181994 198.0
[M+NH4]+ 388.223093 202.6
[M+K]+ 409.152428 192.6
[M+H-H2O]+ 353.186530 181.0
[M+HCOO]- 415.187471 214.5
[M+CH3COO]- 429.203121 225.6
[M+Na-2H]- 391.163936 191.4
[M]+ 370.18872142 195.7
[M]- 370.18981858 195.7
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.