CID 34587

2-diethylaminoethyl 4-amino-2,6-dimethylbenzoate

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₂

SMILES

CCN(CC)CCOC(=O)C1=C(C=C(C=C1C)N)C

InChI

InChI=1S/C15H24N2O2/c1-5-17(6-2)7-8-19-15(18)14-11(3)9-13(16)10-12(14)4/h9-10H,5-8,16H2,1-4H3

InChIKey

NEIBYDXRQISQCQ-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 4-amino-2,6-dimethylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 264.18378 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.191056	165.2
[M+Na]+	287.172998	171.3
[M-H]-	263.176504	169.7
[M+NH4]+	282.217603	182.3
[M+K]+	303.146938	169.9
[M+H-H2O]+	247.181040	157.9
[M+HCOO]-	309.181981	189.3
[M+CH3COO]-	323.197631	209.0
[M+Na-2H]-	285.158446	165.5
[M]+	264.18323142	168.6
[M]-	264.18432858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe