CID 22306

P-aminobenzoic acid 2-(diisopropylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₂

SMILES

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

InChI

InChI=1S/C15H24N2O2/c1-11(2)17(12(3)4)9-10-19-15(18)13-5-7-14(16)8-6-13/h5-8,11-12H,9-10,16H2,1-4H3

InChIKey

YRWIQNLXLDWTKU-UHFFFAOYSA-N

Compound name

2-[di(propan-2-yl)amino]ethyl 4-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 264.18378 Da
Monoisotopic Mass: 2.8
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	166.6
[M+Na]+	287.172998	170.3
[M-H]-	263.176504	170.5
[M+NH4]+	282.217603	182.9
[M+K]+	303.146938	170.0
[M+H-H2O]+	247.181040	159.1
[M+HCOO]-	309.181981	188.7
[M+CH3COO]-	323.197631	208.4
[M+Na-2H]-	285.158446	165.8
[M]+	264.18323142	168.0
[M]-	264.18432858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe