CID 4100752

Helioforte

Structural Information

Molecular Formula

C₁₉H₁₉NO₄

SMILES

CC(CC1=CC2=C(C=C1)OCO2)C=NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H19NO4/c1-13(9-14-7-8-17-18(10-14)24-12-23-17)11-20-16-6-4-3-5-15(16)19(21)22-2/h3-8,10-11,13H,9,12H2,1-2H3

InChIKey

FMKWHJXRMHLTPO-UHFFFAOYSA-N

Compound name

methyl 2-[[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]benzoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 39
Patents: 325.1314 Da
Monoisotopic Mass: 3.7
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]+	326.138676	177.9
[M+Na]+	348.120618	184.0
[M-H]-	324.124124	187.8
[M+NH4]+	343.165223	192.1
[M+K]+	364.094558	183.5
[M+H-H2O]+	308.128660	170.2
[M+HCOO]-	370.129601	199.5
[M+CH3COO]-	384.145251	212.0
[M+Na-2H]-	346.106066	181.2
[M]+	325.13085142	182.8
[M]-	325.13194858	182.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe