CID 126960219

Alpha-(2-chloro-6-nitrophenyl)-n-(4-dimethylaminophenyl)nitrone

Structural Information

Molecular Formula
C15H15ClN3O3
SMILES
CN(C)C1=CC=C(C=C1)/[N+](=C/C2=C(C=CC=C2Cl)[N+](=O)[O-])/O
InChI
InChI=1S/C15H15ClN3O3/c1-17(2)11-6-8-12(9-7-11)18(20)10-13-14(16)4-3-5-15(13)19(21)22/h3-10,20H,1-2H3/q+1/b18-10-
InChIKey
MTCXTHYHCQKTTP-ZDLGFXPLSA-N
Compound name
(Z)-(2-chloro-6-nitrophenyl)methylidene-[4-(dimethylamino)phenyl]-hydroxyazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0802 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08748 173.7
[M+Na]+ 343.06942 179.0
[M-H]- 319.07292 181.4
[M+NH4]+ 338.11402 187.0
[M+K]+ 359.04336 166.2
[M+H-H2O]+ 303.07746 173.4
[M+HCOO]- 365.07840 195.0
[M+CH3COO]- 379.09405 201.1
[M+Na-2H]- 341.05487 180.1
[M]+ 320.07965 173.7
[M]- 320.08075 173.7
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.