CID 54485307

72955-45-4

Structural Information

Molecular Formula

C₁₄H₁₇NO₄

SMILES

CN(C)C1=CC=C(C=C1)C=C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C14H17NO4/c1-15(2)11-7-5-10(6-8-11)9-12(13(16)18-3)14(17)19-4/h5-9H,1-4H3

InChIKey

XRWMXBVSOKQLHH-UHFFFAOYSA-N

Compound name

dimethyl 2-[[4-(dimethylamino)phenyl]methylidene]propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 56
Patents: 263.11575 Da
Monoisotopic Mass: 2.4
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]+	264.123026	159.6
[M+Na]+	286.104968	165.2
[M-H]-	262.108474	164.4
[M+NH4]+	281.149573	176.4
[M+K]+	302.078908	165.4
[M+H-H2O]+	246.113010	152.6
[M+HCOO]-	308.113951	182.6
[M+CH3COO]-	322.129601	202.1
[M+Na-2H]-	284.090416	160.5
[M]+	263.11520142	163.8
[M]-	263.11629858	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe