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

15
Patents

236.11609 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 151.4
[M+Na]+ 259.10531 159.9
[M-H]- 235.10881 153.2
[M+NH4]+ 254.14991 167.8
[M+K]+ 275.07925 157.5
[M+H-H2O]+ 219.11335 143.7
[M+HCOO]- 281.11429 169.3
[M+CH3COO]- 295.12994 192.1
[M+Na-2H]- 257.09076 156.0
[M]+ 236.11554 152.7
[M]- 236.11664 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