CID 45054171

3-br-n-(2-(2-(2-methyl-3-phenyl-2-propenylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C19H18BrN3O2
SMILES
C/C(=C/C1=CC=CC=C1)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C19H18BrN3O2/c1-14(10-15-6-3-2-4-7-15)12-22-23-18(24)13-21-19(25)16-8-5-9-17(20)11-16/h2-12H,13H2,1H3,(H,21,25)(H,23,24)/b14-10-,22-12+
InChIKey
BYYZRWJWDBMRLQ-CIQAXZLMSA-N
Compound name
3-bromo-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.05823 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.06551 186.3
[M+Na]+ 422.04745 192.1
[M-H]- 398.05095 195.2
[M+NH4]+ 417.09205 199.9
[M+K]+ 438.02139 179.4
[M+H-H2O]+ 382.05549 181.9
[M+HCOO]- 444.05643 208.5
[M+CH3COO]- 458.07208 224.0
[M+Na-2H]- 420.03290 189.5
[M]+ 399.05768 203.2
[M]- 399.05878 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.