CID 2305224

Ethyl 3-amino-4-(ethylamino)benzoate

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CCNC1=C(C=C(C=C1)C(=O)OCC)N
InChI
InChI=1S/C11H16N2O2/c1-3-13-10-6-5-8(7-9(10)12)11(14)15-4-2/h5-7,13H,3-4,12H2,1-2H3
InChIKey
MLUBDAIOTIOGDG-UHFFFAOYSA-N
Compound name
ethyl 3-amino-4-(ethylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

208.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 146.9
[M+Na]+ 231.11041 153.6
[M-H]- 207.11391 150.3
[M+NH4]+ 226.15501 165.3
[M+K]+ 247.08435 151.7
[M+H-H2O]+ 191.11845 140.3
[M+HCOO]- 253.11939 171.9
[M+CH3COO]- 267.13504 192.3
[M+Na-2H]- 229.09586 150.8
[M]+ 208.12064 147.2
[M]- 208.12174 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe