CID 6510072

81892-36-6

Structural Information

Molecular Formula
C13H15ClN2O2
SMILES
CCCC(=O)N1CC/C(=N/O)/C2=C1C=CC(=C2)Cl
InChI
InChI=1S/C13H15ClN2O2/c1-2-3-13(17)16-7-6-11(15-18)10-8-9(14)4-5-12(10)16/h4-5,8,18H,2-3,6-7H2,1H3/b15-11-
InChIKey
XWPGSXMQSZAQLG-PTNGSMBKSA-N
Compound name
1-[(4Z)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

266.0822 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.089476 158.3
[M+Na]+ 289.071418 166.4
[M-H]- 265.074924 161.1
[M+NH4]+ 284.116023 175.6
[M+K]+ 305.045358 161.7
[M+H-H2O]+ 249.079460 152.0
[M+HCOO]- 311.080401 173.5
[M+CH3COO]- 325.096051 198.2
[M+Na-2H]- 287.056866 162.3
[M]+ 266.08165142 159.3
[M]- 266.08274858 159.3
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

patents stripe