CID 135416216

187884-88-4

Structural Information

Molecular Formula

C₁₇H₂₄N₂O₂

SMILES

CC1(CC2=CC=CC=C2C(=NCCCCCC(=O)O)N1)C

InChI

InChI=1S/C17H24N2O2/c1-17(2)12-13-8-5-6-9-14(13)16(19-17)18-11-7-3-4-10-15(20)21/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,18,19)(H,20,21)

InChIKey

OMUPUTZSPUEWKZ-UHFFFAOYSA-N

Compound name

6-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)amino]hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.18378 Da
Monoisotopic Mass: 2.5
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]+	289.191056	169.9
[M+Na]+	311.172998	175.1
[M-H]-	287.176504	170.7
[M+NH4]+	306.217603	186.3
[M+K]+	327.146938	170.5
[M+H-H2O]+	271.181040	162.7
[M+HCOO]-	333.181981	186.8
[M+CH3COO]-	347.197631	203.0
[M+Na-2H]-	309.158446	173.7
[M]+	288.18323142	168.4
[M]-	288.18432858	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.