CID 206303

49557-33-7

Structural Information

Molecular Formula
C28H41N2O4
SMILES
CCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC
InChI
InChI=1S/C28H40N2O4/c1-5-8-9-10-13-21-33-26-15-12-11-14-25(26)27(31)29-24-18-16-23(17-19-24)28(32)34-22-20-30(4,6-2)7-3/h11-12,14-19H,5-10,13,20-22H2,1-4H3/p+1
InChIKey
CKMUTMQQRABTGA-UHFFFAOYSA-O
Compound name
diethyl-[2-[4-[(2-heptoxybenzoyl)amino]benzoyl]oxyethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

469.30664 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.31392 222.3
[M+Na]+ 492.29586 222.9
[M-H]- 468.29936 228.4
[M+NH4]+ 487.34046 230.0
[M+K]+ 508.26980 213.8
[M+H-H2O]+ 452.30390 214.4
[M+HCOO]- 514.30484 242.3
[M+CH3COO]- 528.32049 238.2
[M+Na-2H]- 490.28131 223.9
[M]+ 469.30609 227.8
[M]- 469.30719 227.8
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.