CID 488917

[4-(2-ethyl-imidazol-1-yl)-6-methyl-5-nitro-pyrimidin-2-yl]-methoxymethyl-methyl-amine

Structural Information

Molecular Formula
C13H18N6O3
SMILES
CCC1=NC=CN1C2=NC(=NC(=C2[N+](=O)[O-])C)N(C)COC
InChI
InChI=1S/C13H18N6O3/c1-5-10-14-6-7-18(10)12-11(19(20)21)9(2)15-13(16-12)17(3)8-22-4/h6-7H,5,8H2,1-4H3
InChIKey
VHQGTHAMKRDCSQ-UHFFFAOYSA-N
Compound name
4-(2-ethylimidazol-1-yl)-N-(methoxymethyl)-N,6-dimethyl-5-nitropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.14404 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15132 169.0
[M+Na]+ 329.13326 176.8
[M-H]- 305.13676 173.1
[M+NH4]+ 324.17786 180.1
[M+K]+ 345.10720 170.7
[M+H-H2O]+ 289.14130 163.1
[M+HCOO]- 351.14224 191.9
[M+CH3COO]- 365.15789 206.3
[M+Na-2H]- 327.11871 174.6
[M]+ 306.14349 172.1
[M]- 306.14459 172.1
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.