CID 45054448

3-bromo-n-(2-(2-(3-bromobenzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C16H13Br2N3O2
SMILES
C1=CC(=CC(=C1)Br)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C16H13Br2N3O2/c17-13-5-1-3-11(7-13)9-20-21-15(22)10-19-16(23)12-4-2-6-14(18)8-12/h1-9H,10H2,(H,19,23)(H,21,22)/b20-9+
InChIKey
WBNRFSQTCPDQKR-AWQFTUOYSA-N
Compound name
3-bromo-N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.93744 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.94472 173.7
[M+Na]+ 459.92666 180.3
[M-H]- 435.93016 182.5
[M+NH4]+ 454.97126 187.0
[M+K]+ 475.90060 163.8
[M+H-H2O]+ 419.93470 177.3
[M+HCOO]- 481.93564 191.3
[M+CH3COO]- 495.95129 228.4
[M+Na-2H]- 457.91211 178.2
[M]+ 436.93689 206.3
[M]- 436.93799 206.3
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.