CID 9630229

3-bromo-n-(2-oxo-2-(2-(2-(2-propynyloxy)benzylidene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C19H16BrN3O3
SMILES
C#CCOC1=CC=CC=C1/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C19H16BrN3O3/c1-2-10-26-17-9-4-3-6-15(17)12-22-23-18(24)13-21-19(25)14-7-5-8-16(20)11-14/h1,3-9,11-12H,10,13H2,(H,21,25)(H,23,24)/b22-12+
InChIKey
JGQIMBSSSSQRNR-WSDLNYQXSA-N
Compound name
3-bromo-N-[2-oxo-2-[(2E)-2-[(2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.0375 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.04478 190.5
[M+Na]+ 436.02672 199.7
[M-H]- 412.03022 195.6
[M+NH4]+ 431.07132 201.8
[M+K]+ 452.00066 186.0
[M+H-H2O]+ 396.03476 180.0
[M+HCOO]- 458.03570 209.6
[M+CH3COO]- 472.05135 229.5
[M+Na-2H]- 434.01217 192.4
[M]+ 413.03695 202.0
[M]- 413.03805 202.0
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.