CID 3015931

37676-00-9

Structural Information

Molecular Formula

C₁₆H₁₇NO₂

SMILES

CC1=CC=CC=C1N(C)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C16H17NO2/c1-12-8-4-6-10-14(12)17(2)15-11-7-5-9-13(15)16(18)19-3/h4-11H,1-3H3

InChIKey

CCEKAFYQQNLXEC-UHFFFAOYSA-N

Compound name

methyl 2-(N,2-dimethylanilino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.12593 Da
Monoisotopic Mass: 3.8
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]+	256.133206	158.4
[M+Na]+	278.115148	165.3
[M-H]-	254.118654	166.7
[M+NH4]+	273.159753	175.7
[M+K]+	294.089088	163.4
[M+H-H2O]+	238.123190	150.4
[M+HCOO]-	300.124131	183.3
[M+CH3COO]-	314.139781	202.1
[M+Na-2H]-	276.100596	162.4
[M]+	255.12538142	161.0
[M]-	255.12647858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.