CID 208414

Norrimazole

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CCOC(=O)C1=CN=C2CCCC(N2C1=O)C
InChI
InChI=1S/C12H16N2O3/c1-3-17-12(16)9-7-13-10-6-4-5-8(2)14(10)11(9)15/h7-8H,3-6H2,1-2H3
InChIKey
HSSAXQPNRNFSLU-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

236.11609 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 151.4
[M+Na]+ 259.105308 159.9
[M-H]- 235.108814 153.2
[M+NH4]+ 254.149913 167.8
[M+K]+ 275.079248 157.5
[M+H-H2O]+ 219.113350 143.7
[M+HCOO]- 281.114291 169.3
[M+CH3COO]- 295.129941 192.1
[M+Na-2H]- 257.090756 156.0
[M]+ 236.11554142 152.7
[M]- 236.11663858 152.7
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

patents stripe