CID 117756

26189-88-8

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CC(=O)OCCN(CCOC(=O)C)C1=CC=CC(=C1)N
InChI
InChI=1S/C14H20N2O4/c1-11(17)19-8-6-16(7-9-20-12(2)18)14-5-3-4-13(15)10-14/h3-5,10H,6-9,15H2,1-2H3
InChIKey
LQMOHCBAOVGFMO-UHFFFAOYSA-N
Compound name
2-[N-(2-acetyloxyethyl)-3-aminoanilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

280.1423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.149576 165.9
[M+Na]+ 303.131518 170.4
[M-H]- 279.135024 169.9
[M+NH4]+ 298.176123 181.4
[M+K]+ 319.105458 170.3
[M+H-H2O]+ 263.139560 158.0
[M+HCOO]- 325.140501 190.0
[M+CH3COO]- 339.156151 207.2
[M+Na-2H]- 301.116966 167.1
[M]+ 280.14175142 169.6
[M]- 280.14284858 169.6
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

patents stripe