CID 488902

(r)-4-(4-imidazol-1-yl-6-methyl-5-nitro-pyrimidin-2-yl)-3-methyl-morpholine

Structural Information

Molecular Formula
C13H16N6O3
SMILES
C[C@@H]1COCCN1C2=NC(=C(C(=N2)N3C=CN=C3)[N+](=O)[O-])C
InChI
InChI=1S/C13H16N6O3/c1-9-7-22-6-5-18(9)13-15-10(2)11(19(20)21)12(16-13)17-4-3-14-8-17/h3-4,8-9H,5-7H2,1-2H3/t9-/m1/s1
InChIKey
FCIGOVAQWMOIDY-SECBINFHSA-N
Compound name
(3R)-4-(4-imidazol-1-yl-6-methyl-5-nitropyrimidin-2-yl)-3-methylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

304.1284 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13568 170.2
[M+Na]+ 327.11762 176.9
[M-H]- 303.12112 174.5
[M+NH4]+ 322.16222 177.5
[M+K]+ 343.09156 169.8
[M+H-H2O]+ 287.12566 163.0
[M+HCOO]- 349.12660 186.0
[M+CH3COO]- 363.14225 198.5
[M+Na-2H]- 325.10307 175.1
[M]+ 304.12785 167.0
[M]- 304.12895 167.0
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.