CID 139596672

(nz)-n-[1-[(2-chloropyridin-4-yl)methyl]-5-hydroxyimidazolidin-2-ylidene]nitramide

Structural Information

Molecular Formula
C9H10ClN5O3
SMILES
C1C(N(/C(=N\[N+](=O)[O-])/N1)CC2=CC(=NC=C2)Cl)O
InChI
InChI=1S/C9H10ClN5O3/c10-7-3-6(1-2-11-7)5-14-8(16)4-12-9(14)13-15(17)18/h1-3,8,16H,4-5H2,(H,12,13)
InChIKey
PSISAKHGKWJGEQ-UHFFFAOYSA-N
Compound name
(NZ)-N-[1-[(2-chloropyridin-4-yl)methyl]-5-hydroxyimidazolidin-2-ylidene]nitramide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

271.0472 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05448 156.2
[M+Na]+ 294.03642 162.9
[M-H]- 270.03992 157.7
[M+NH4]+ 289.08102 168.9
[M+K]+ 310.01036 154.3
[M+H-H2O]+ 254.04446 152.3
[M+HCOO]- 316.04540 172.3
[M+CH3COO]- 330.06105 187.1
[M+Na-2H]- 292.02187 161.8
[M]+ 271.04665 152.4
[M]- 271.04775 152.4
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

No patent data available for this compound.