CID 183033

131206-85-4

Structural Information

Molecular Formula
C9H10ClN5O
SMILES
C1CN(C(=N1)NN=O)CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C9H10ClN5O/c10-8-2-1-7(5-12-8)6-15-4-3-11-9(15)13-14-16/h1-2,5H,3-4,6H2,(H,11,13,16)
InChIKey
BGJQJWBDOOIKPP-UHFFFAOYSA-N
Compound name
N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitrous amide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

10
Patents

239.05739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.064666 149.7
[M+Na]+ 262.046608 158.8
[M-H]- 238.050114 153.9
[M+NH4]+ 257.091213 165.9
[M+K]+ 278.020548 155.0
[M+H-H2O]+ 222.054650 140.2
[M+HCOO]- 284.055591 170.3
[M+CH3COO]- 298.071241 194.3
[M+Na-2H]- 260.032056 156.2
[M]+ 239.05684142 151.6
[M]- 239.05793858 151.6
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