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]+ 240.06467 149.7
[M+Na]+ 262.04661 158.8
[M-H]- 238.05011 153.9
[M+NH4]+ 257.09121 165.9
[M+K]+ 278.02055 155.0
[M+H-H2O]+ 222.05465 140.2
[M+HCOO]- 284.05559 170.3
[M+CH3COO]- 298.07124 194.3
[M+Na-2H]- 260.03206 156.2
[M]+ 239.05684 151.6
[M]- 239.05794 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.