CID 9588653

Alpha-methyl chloro-4 oxo-1 1h-isoquinoleine-2 acetamidoxime [french]

Structural Information

Molecular Formula
C12H12ClN3O2
SMILES
CC(/C(=N/O)/N)N1C=C(C2=CC=CC=C2C1=O)Cl
InChI
InChI=1S/C12H12ClN3O2/c1-7(11(14)15-18)16-6-10(13)8-4-2-3-5-9(8)12(16)17/h2-7,18H,1H3,(H2,14,15)
InChIKey
YXGVBDYKAFDUDD-UHFFFAOYSA-N
Compound name
2-(4-chloro-1-oxoisoquinolin-2-yl)-N'-hydroxypropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0618 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06908 155.2
[M+Na]+ 288.05102 167.9
[M+NH4]+ 283.09562 162.6
[M+K]+ 304.02496 162.0
[M-H]- 264.05452 157.4
[M+Na-2H]- 286.03647 160.8
[M]+ 265.06125 157.7
[M]- 265.06235 157.7
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.