CID 68835

Esaprazole

Structural Information

Molecular Formula

C₁₂H₂₃N₃O

SMILES

C1CCC(CC1)NC(=O)CN2CCNCC2

InChI

InChI=1S/C12H23N3O/c16-12(10-15-8-6-13-7-9-15)14-11-4-2-1-3-5-11/h11,13H,1-10H2,(H,14,16)

InChIKey

RTFADALJKSFJDZ-UHFFFAOYSA-N

Compound name

N-cyclohexyl-2-piperazin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 26
References: 784
Patents: 225.18411 Da
Monoisotopic Mass: 0.8
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]+	226.19139	155.8
[M+Na]+	248.17333	155.7
[M-H]-	224.17683	155.7
[M+NH4]+	243.21793	169.0
[M+K]+	264.14727	152.8
[M+H-H2O]+	208.18137	146.5
[M+HCOO]-	270.18231	168.3
[M+CH3COO]-	284.19796	187.3
[M+Na-2H]-	246.15878	157.6
[M]+	225.18356	144.0
[M]-	225.18466	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe