CID 45054521

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

Structural Information

Molecular Formula
C16H13BrClN3O2
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br)Cl
InChI
InChI=1S/C16H13BrClN3O2/c17-13-6-3-5-11(8-13)16(23)19-10-15(22)21-20-9-12-4-1-2-7-14(12)18/h1-9H,10H2,(H,19,23)(H,21,22)/b20-9+
InChIKey
UTCMQFNEARNKCI-AWQFTUOYSA-N
Compound name
3-bromo-N-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.98798 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.99526 179.5
[M+Na]+ 415.97720 188.6
[M-H]- 391.98070 189.2
[M+NH4]+ 411.02180 194.8
[M+K]+ 431.95114 174.6
[M+H-H2O]+ 375.98524 176.6
[M+HCOO]- 437.98618 199.3
[M+CH3COO]- 452.00183 220.6
[M+Na-2H]- 413.96265 184.5
[M]+ 392.98743 199.5
[M]- 392.98853 199.5
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.