CID 3037418

101336-63-4

Structural Information

Molecular Formula
C10H11ClN4O2
SMILES
C1CN(/C(=C\[N+](=O)[O-])/N1)CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C10H11ClN4O2/c11-9-2-1-8(5-13-9)6-14-4-3-12-10(14)7-15(16)17/h1-2,5,7,12H,3-4,6H2/b10-7-
InChIKey
ALNDHUQPXHHNON-YFHOEESVSA-N
Compound name
2-chloro-5-[[(2Z)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

29
Patents

254.05705 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06433 151.9
[M+Na]+ 277.04627 164.5
[M+NH4]+ 272.09087 158.6
[M+K]+ 293.02021 162.6
[M-H]- 253.04977 153.9
[M+Na-2H]- 275.03172 157.3
[M]+ 254.05650 154.1
[M]- 254.05760 154.1
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