CID 4402571

325970-71-6

Structural Information

Molecular Formula
C16H14Br2N4O4
SMILES
CC1=C(C=C(C=C1Br)NCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])O)Br
InChI
InChI=1S/C16H14Br2N4O4/c1-9-13(17)5-11(6-14(9)18)19-8-16(24)21-20-7-10-4-12(22(25)26)2-3-15(10)23/h2-7,19,23H,8H2,1H3,(H,21,24)
InChIKey
KFEPVFJQVOMODD-UHFFFAOYSA-N
Compound name
2-(3,5-dibromo-4-methylanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

175
Patents

483.93817 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.94545 192.7
[M+Na]+ 506.92739 186.5
[M+NH4]+ 501.97199 192.6
[M+K]+ 522.90133 193.7
[M-H]- 482.93089 195.0
[M+Na-2H]- 504.91284 192.3
[M]+ 483.93762 191.2
[M]- 483.93872 191.2
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

patents stripe