CID 6436171

Azanidazole

Structural Information

Molecular Formula
C10H10N6O2
SMILES
CN1C(=CN=C1/C=C/C2=NC(=NC=C2)N)[N+](=O)[O-]
InChI
InChI=1S/C10H10N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H2,11,12,14)/b3-2+
InChIKey
LHIALLMPKJMSIQ-NSCUHMNNSA-N
Compound name
4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

1368
Patents

246.08652 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09380 152.2
[M+Na]+ 269.07574 160.9
[M-H]- 245.07924 154.5
[M+NH4]+ 264.12034 164.7
[M+K]+ 285.04968 152.7
[M+H-H2O]+ 229.08378 147.0
[M+HCOO]- 291.08472 175.0
[M+CH3COO]- 305.10037 188.4
[M+Na-2H]- 267.06119 159.5
[M]+ 246.08597 149.7
[M]- 246.08707 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe