CID 9571424

Nsc659332

Structural Information

Molecular Formula
C17H13ClN4O2
SMILES
CN(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])/N=C/C2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C17H13ClN4O2/c1-21(16-7-6-13(18)10-17(16)22(23)24)20-11-12-8-9-19-15-5-3-2-4-14(12)15/h2-11H,1H3/b20-11+
InChIKey
JPLZHBVRIVEUKV-RGVLZGJSSA-N
Compound name
4-chloro-N-methyl-2-nitro-N-[(E)-quinolin-4-ylmethylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0727 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.07998 176.7
[M+Na]+ 363.06192 183.4
[M-H]- 339.06542 185.0
[M+NH4]+ 358.10652 189.9
[M+K]+ 379.03586 174.7
[M+H-H2O]+ 323.06996 171.6
[M+HCOO]- 385.07090 198.7
[M+CH3COO]- 399.08655 214.0
[M+Na-2H]- 361.04737 185.3
[M]+ 340.07215 179.0
[M]- 340.07325 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.