CID 488904

(s)-3-methyl-4-[4-methyl-6-(2-methyl-imidazol-1-yl)-5-nitro-pyrimidin-2-yl]-morpholine

Structural Information

Molecular Formula
C14H18N6O3
SMILES
C[C@H]1COCCN1C2=NC(=C(C(=N2)N3C=CN=C3C)[N+](=O)[O-])C
InChI
InChI=1S/C14H18N6O3/c1-9-8-23-7-6-18(9)14-16-10(2)12(20(21)22)13(17-14)19-5-4-15-11(19)3/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1
InChIKey
IUOMVEKRYYXMAS-VIFPVBQESA-N
Compound name
(3S)-3-methyl-4-[4-methyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.14404 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15132 175.6
[M+Na]+ 341.13326 182.9
[M-H]- 317.13676 180.2
[M+NH4]+ 336.17786 182.7
[M+K]+ 357.10720 175.5
[M+H-H2O]+ 301.14130 168.6
[M+HCOO]- 363.14224 191.1
[M+CH3COO]- 377.15789 202.6
[M+Na-2H]- 339.11871 179.3
[M]+ 318.14349 173.2
[M]- 318.14459 173.2
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.