CID 14555424

Confidorsl

Structural Information

Molecular Formula
C9H10ClN5O2
SMILES
C1CN(C(=N)N1CC2=CN=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-13-3-4-14(9(13)11)15(16)17/h1-2,5,11H,3-4,6H2
InChIKey
OHCQTBUVYSBIEL-UHFFFAOYSA-N
Compound name
1-[(6-chloro-3-pyridinyl)methyl]-3-nitroimidazolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

255.0523 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.059576 154.0
[M+Na]+ 278.041518 161.3
[M-H]- 254.045024 156.8
[M+NH4]+ 273.086123 168.1
[M+K]+ 294.015458 153.0
[M+H-H2O]+ 238.049560 149.9
[M+HCOO]- 300.050501 171.4
[M+CH3COO]- 314.066151 188.2
[M+Na-2H]- 276.026966 159.7
[M]+ 255.05175142 150.8
[M]- 255.05284858 150.8
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