CID 3071754

Morpholine, 4-(4-(1h-imidazol-1-yl)-2-pyrimidinyl)-, dihydrochloride

Structural Information

Molecular Formula
C11H13N5O
SMILES
C1COCCN1C2=NC=CC(=N2)N3C=CN=C3
InChI
InChI=1S/C11H13N5O/c1-2-13-11(15-5-7-17-8-6-15)14-10(1)16-4-3-12-9-16/h1-4,9H,5-8H2
InChIKey
XCFYLNBPVWCBMI-UHFFFAOYSA-N
Compound name
4-(4-imidazol-1-ylpyrimidin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.11201 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.119286 151.6
[M+Na]+ 254.101228 158.7
[M-H]- 230.104734 154.6
[M+NH4]+ 249.145833 162.1
[M+K]+ 270.075168 155.9
[M+H-H2O]+ 214.109270 139.7
[M+HCOO]- 276.110211 167.1
[M+CH3COO]- 290.125861 162.0
[M+Na-2H]- 252.086676 156.8
[M]+ 231.11146142 148.2
[M]- 231.11255858 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.