CID 162345069

Ns00133131

Structural Information

Molecular Formula
C11H9ClN4O
SMILES
COC1=NN2C(=NC3=C2C=C(C=C3)NCl)C=C1
InChI
InChI=1S/C11H9ClN4O/c1-17-11-5-4-10-13-8-3-2-7(14-12)6-9(8)16(10)15-11/h2-6,14H,1H3
InChIKey
CNYXVCPIJCRCNT-UHFFFAOYSA-N
Compound name
N-chloro-2-methoxypyridazino[1,6-a]benzimidazol-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0465 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.053776 150.2
[M+Na]+ 271.035718 163.1
[M-H]- 247.039224 152.6
[M+NH4]+ 266.080323 168.4
[M+K]+ 287.009658 157.5
[M+H-H2O]+ 231.043760 142.2
[M+HCOO]- 293.044701 168.5
[M+CH3COO]- 307.060351 163.4
[M+Na-2H]- 269.021166 159.5
[M]+ 248.04595142 156.0
[M]- 248.04704858 156.0
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.