CID 3071748

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

Structural Information

Molecular Formula
C11H13N5O
SMILES
C1COCCN1C2=NC(=NC=C2)N3C=CN=C3
InChI
InChI=1S/C11H13N5O/c1-2-13-11(16-4-3-12-9-16)14-10(1)15-5-7-17-8-6-15/h1-4,9H,5-8H2
InChIKey
CNQFCXCYPMLXSJ-UHFFFAOYSA-N
Compound name
4-(2-imidazol-1-ylpyrimidin-4-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]+ 232.11929 151.6
[M+Na]+ 254.10123 158.7
[M-H]- 230.10473 154.6
[M+NH4]+ 249.14583 162.1
[M+K]+ 270.07517 155.9
[M+H-H2O]+ 214.10927 139.7
[M+HCOO]- 276.11021 167.1
[M+CH3COO]- 290.12586 162.0
[M+Na-2H]- 252.08668 156.8
[M]+ 231.11146 148.2
[M]- 231.11256 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.