CID 120060

2,2'-((3-nitrophenyl)imino)bisethyl diacetate

Structural Information

Molecular Formula
C14H18N2O6
SMILES
CC(=O)OCCN(CCOC(=O)C)C1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C14H18N2O6/c1-11(17)21-8-6-15(7-9-22-12(2)18)13-4-3-5-14(10-13)16(19)20/h3-5,10H,6-9H2,1-2H3
InChIKey
PMKZSNHGWMGRPQ-UHFFFAOYSA-N
Compound name
2-[N-(2-acetyloxyethyl)-3-nitroanilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1165 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12378 170.0
[M+Na]+ 333.10572 173.8
[M-H]- 309.10922 174.3
[M+NH4]+ 328.15032 183.7
[M+K]+ 349.07966 170.3
[M+H-H2O]+ 293.11376 166.6
[M+HCOO]- 355.11470 194.7
[M+CH3COO]- 369.13035 203.5
[M+Na-2H]- 331.09117 173.4
[M]+ 310.11595 174.0
[M]- 310.11705 174.0
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.