CID 103228

[(3-nitrophenyl)imino]diethane-2,1-diyl dibenzoate

Structural Information

Molecular Formula
C24H22N2O6
SMILES
C1=CC=C(C=C1)C(=O)OCCN(CCOC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C24H22N2O6/c27-23(19-8-3-1-4-9-19)31-16-14-25(21-12-7-13-22(18-21)26(29)30)15-17-32-24(28)20-10-5-2-6-11-20/h1-13,18H,14-17H2
InChIKey
MTUKXZOCDANANT-UHFFFAOYSA-N
Compound name
2-[N-(2-benzoyloxyethyl)-3-nitroanilino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1478 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.15508 201.0
[M+Na]+ 457.13702 213.7
[M+NH4]+ 452.18162 206.3
[M+K]+ 473.11096 209.5
[M-H]- 433.14052 207.6
[M+Na-2H]- 455.12247 210.0
[M]+ 434.14725 204.4
[M]- 434.14835 204.4
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.