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]+ 371.19655 190.8
[M+Na]+ 393.17849 194.2
[M-H]- 369.18199 198.0
[M+NH4]+ 388.22309 202.6
[M+K]+ 409.15243 192.6
[M+H-H2O]+ 353.18653 181.0
[M+HCOO]- 415.18747 214.5
[M+CH3COO]- 429.20312 225.6
[M+Na-2H]- 391.16394 191.4
[M]+ 370.18872 195.7
[M]- 370.18982 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.