CID 5340729

Ccg-11344

Structural Information

Molecular Formula
C16H14Br3N3O2
SMILES
CC1=CC=C(C=C1)NCC(=O)N/N=C\C2=C(C(=C(C=C2Br)Br)O)Br
InChI
InChI=1S/C16H14Br3N3O2/c1-9-2-4-10(5-3-9)20-8-14(23)22-21-7-11-12(17)6-13(18)16(24)15(11)19/h2-7,20,24H,8H2,1H3,(H,22,23)/b21-7-
InChIKey
WLFDVSJZNPXPPX-YXSASFKJSA-N
Compound name
2-(4-methylanilino)-N-[(Z)-(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.8636 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.87088 173.0
[M+Na]+ 539.85282 177.7
[M-H]- 515.85632 179.0
[M+NH4]+ 534.89742 182.7
[M+K]+ 555.82676 160.9
[M+H-H2O]+ 499.86086 183.2
[M+HCOO]- 561.86180 183.0
[M+CH3COO]- 575.87745 240.0
[M+Na-2H]- 537.83827 174.5
[M]+ 516.86305 212.4
[M]- 516.86415 212.4
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.