CID 90481564

N-(5-chloro-2,4-dimethoxyphenyl)-n-(3-(2-nitrophenyl)-2-propenylidene)amine

Structural Information

Molecular Formula
C17H15ClN2O4
SMILES
COC1=CC(=C(C=C1N=C/C=C/C2=CC=CC=C2[N+](=O)[O-])Cl)OC
InChI
InChI=1S/C17H15ClN2O4/c1-23-16-11-17(24-2)14(10-13(16)18)19-9-5-7-12-6-3-4-8-15(12)20(21)22/h3-11H,1-2H3/b7-5+,19-9?
InChIKey
RCVRDJAFRLBACG-LPZSNHKFSA-N
Compound name
(E)-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2-nitrophenyl)prop-2-en-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.07202 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07930 180.8
[M+Na]+ 369.06124 188.4
[M-H]- 345.06474 188.7
[M+NH4]+ 364.10584 194.5
[M+K]+ 385.03518 179.5
[M+H-H2O]+ 329.06928 177.4
[M+HCOO]- 391.07022 203.6
[M+CH3COO]- 405.08587 209.2
[M+Na-2H]- 367.04669 185.4
[M]+ 346.07147 185.7
[M]- 346.07257 185.7
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.