CID 27368

Butetamate

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

CCC(C1=CC=CC=C1)C(=O)OCCN(CC)CC

InChI

InChI=1S/C16H25NO2/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3

InChIKey

CKWHSYRZDLWQFV-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2-phenylbutanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 338
Patents: 263.18854 Da
Monoisotopic Mass: 3.4
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]+	264.19582	166.9
[M+Na]+	286.17776	170.4
[M-H]-	262.18126	170.7
[M+NH4]+	281.22236	183.7
[M+K]+	302.15170	169.5
[M+H-H2O]+	246.18580	159.2
[M+HCOO]-	308.18674	189.3
[M+CH3COO]-	322.20239	204.9
[M+Na-2H]-	284.16321	168.3
[M]+	263.18799	170.7
[M]-	263.18909	170.7

Literature stripe

literature stripe

Patent stripe

patents stripe