CID 46179632

Tepilamide fumarate

Structural Information

Molecular Formula

C₁₁H₁₇NO₅

SMILES

CCN(CC)C(=O)COC(=O)/C=C/C(=O)OC

InChI

InChI=1S/C11H17NO5/c1-4-12(5-2)9(13)8-17-11(15)7-6-10(14)16-3/h6-7H,4-5,8H2,1-3H3/b7-6+

InChIKey

AKUGRXRLHCCENI-VOTSOKGWSA-N

Compound name

4-O-[2-(diethylamino)-2-oxoethyl] 1-O-methyl (E)-but-2-enedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 400
Patents: 243.11067 Da
Monoisotopic Mass: 0.5
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]+	244.117946	154.8
[M+Na]+	266.099888	160.0
[M-H]-	242.103394	156.1
[M+NH4]+	261.144493	172.5
[M+K]+	282.073828	161.3
[M+H-H2O]+	226.107930	148.7
[M+HCOO]-	288.108871	177.7
[M+CH3COO]-	302.124521	196.9
[M+Na-2H]-	264.085336	155.4
[M]+	243.11012142	160.7
[M]-	243.11121858	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe