CID 58013

2-(dimethylamino)ethyl 4-amino-2-butoxybenzoate

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CCCCOC1=C(C=CC(=C1)N)C(=O)OCCN(C)C
InChI
InChI=1S/C15H24N2O3/c1-4-5-9-19-14-11-12(16)6-7-13(14)15(18)20-10-8-17(2)3/h6-7,11H,4-5,8-10,16H2,1-3H3
InChIKey
CVNZUXHXTUSZSR-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 4-amino-2-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.17868 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.18596 167.8
[M+Na]+ 303.16790 176.9
[M+NH4]+ 298.21250 173.9
[M+K]+ 319.14184 171.6
[M-H]- 279.17140 169.7
[M+Na-2H]- 301.15335 171.8
[M]+ 280.17813 169.3
[M]- 280.17923 169.3
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