CID 117723

26095-52-3

Structural Information

Molecular Formula
C22H29N2O4
SMILES
CC[N+](C)(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC
InChI
InChI=1S/C22H28N2O4/c1-5-24(3,6-2)15-16-28-22(26)17-11-13-18(14-12-17)23-21(25)19-9-7-8-10-20(19)27-4/h7-14H,5-6,15-16H2,1-4H3/p+1
InChIKey
MLWINDXAFXNVSF-UHFFFAOYSA-O
Compound name
diethyl-[2-[4-[(2-methoxybenzoyl)amino]benzoyl]oxyethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.21274 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.22002 194.7
[M+Na]+ 408.20196 198.0
[M-H]- 384.20546 202.1
[M+NH4]+ 403.24656 205.9
[M+K]+ 424.17590 190.2
[M+H-H2O]+ 368.21000 188.1
[M+HCOO]- 430.21094 216.8
[M+CH3COO]- 444.22659 220.6
[M+Na-2H]- 406.18741 199.4
[M]+ 385.21219 198.2
[M]- 385.21329 198.2
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.