CID 155973292

4-(2,6-dichloropyrimidine-4-carbonyl)morpholine

Structural Information

Molecular Formula
C9H9Cl2N3O2
SMILES
C1COCCN1C(=O)C2=CC(=NC(=N2)Cl)Cl
InChI
InChI=1S/C9H9Cl2N3O2/c10-7-5-6(12-9(11)13-7)8(15)14-1-3-16-4-2-14/h5H,1-4H2
InChIKey
GGLYXTOGBORYMO-UHFFFAOYSA-N
Compound name
(2,6-dichloropyrimidin-4-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.00717 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.01445 151.8
[M+Na]+ 283.99639 160.2
[M-H]- 259.99989 153.7
[M+NH4]+ 279.04099 164.0
[M+K]+ 299.97033 156.7
[M+H-H2O]+ 244.00443 143.1
[M+HCOO]- 306.00537 158.2
[M+CH3COO]- 320.02102 162.4
[M+Na-2H]- 281.98184 156.1
[M]+ 261.00662 151.9
[M]- 261.00772 151.9
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.