CID 13490010

95857-81-1

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₂

SMILES

C1COC(C2=C1NC=N2)CN3CCOCC3

InChI

InChI=1S/C11H17N3O2/c1-4-16-10(11-9(1)12-8-13-11)7-14-2-5-15-6-3-14/h8,10H,1-7H2,(H,12,13)

InChIKey

FSFGAUQTHHKDLV-UHFFFAOYSA-N

Compound name

4-(morpholin-4-ylmethyl)-1,4,6,7-tetrahydropyrano[3,4-d]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.13208 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]+	224.139356	150.3
[M+Na]+	246.121298	155.0
[M-H]-	222.124804	152.2
[M+NH4]+	241.165903	163.1
[M+K]+	262.095238	153.8
[M+H-H2O]+	206.129340	141.2
[M+HCOO]-	268.130281	162.0
[M+CH3COO]-	282.145931	160.1
[M+Na-2H]-	244.106746	154.6
[M]+	223.13153142	144.8
[M]-	223.13262858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.