CID 9588305

Brn 4597360

Structural Information

Molecular Formula
C21H17ClN4O4
SMILES
COC1=CC=CC=C1NC2=C(C=CC(=C2)Cl)C(=O)N/N=C/C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C21H17ClN4O4/c1-30-20-9-5-3-7-17(20)24-18-12-15(22)10-11-16(18)21(27)25-23-13-14-6-2-4-8-19(14)26(28)29/h2-13,24H,1H3,(H,25,27)/b23-13+
InChIKey
GBTJMJHNVGWMFT-YDZHTSKRSA-N
Compound name
4-chloro-2-(2-methoxyanilino)-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.09384 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.10112 198.6
[M+Na]+ 447.08306 213.0
[M+NH4]+ 442.12766 205.1
[M+K]+ 463.05700 207.0
[M-H]- 423.08656 207.4
[M+Na-2H]- 445.06851 208.4
[M]+ 424.09329 203.2
[M]- 424.09439 203.2
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.