CID 6336652

Diethyxime

Structural Information

Molecular Formula
C13H19BrN2OS
SMILES
CCN(CC)CCS/C(=N\O)/C1=CC=C(C=C1)Br
InChI
InChI=1S/C13H19BrN2OS/c1-3-16(4-2)9-10-18-13(15-17)11-5-7-12(14)8-6-11/h5-8,17H,3-4,9-10H2,1-2H3/b15-13-
InChIKey
OUPYOOXTKDZJPH-SQFISAMPSA-N
Compound name
2-(diethylamino)ethyl (1Z)-4-bromo-N-hydroxybenzenecarboximidothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

0
Patents

330.04016 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04744 161.5
[M+Na]+ 353.02938 170.0
[M-H]- 329.03288 168.3
[M+NH4]+ 348.07398 179.8
[M+K]+ 369.00332 157.8
[M+H-H2O]+ 313.03742 159.1
[M+HCOO]- 375.03836 178.7
[M+CH3COO]- 389.05401 210.6
[M+Na-2H]- 351.01483 164.4
[M]+ 330.03961 183.1
[M]- 330.04071 183.1
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.