CID 3078521

Brn 3572566

Structural Information

Molecular Formula
C15H18N4O6
SMILES
CN1C(=O)C=C(N(C1=O)CC2=CC(=C(C=C2)OC)[N+](=O)[O-])NCCO
InChI
InChI=1S/C15H18N4O6/c1-17-14(21)8-13(16-5-6-20)18(15(17)22)9-10-3-4-12(25-2)11(7-10)19(23)24/h3-4,7-8,16,20H,5-6,9H2,1-2H3
InChIKey
GUDIAFFENVXUOX-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethylamino)-1-[(4-methoxy-3-nitrophenyl)methyl]-3-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12262 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12990 176.8
[M+Na]+ 373.11184 184.8
[M-H]- 349.11534 180.8
[M+NH4]+ 368.15644 185.6
[M+K]+ 389.08578 177.0
[M+H-H2O]+ 333.11988 171.6
[M+HCOO]- 395.12082 199.4
[M+CH3COO]- 409.13647 208.4
[M+Na-2H]- 371.09729 182.4
[M]+ 350.12207 179.4
[M]- 350.12317 179.4
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.