CID 9639339

2-iodo-n-(2-oxo-2-(2-(2-(2-propynyloxy)benzylidene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C19H16IN3O3
SMILES
C#CCOC1=CC=CC=C1/C=N/NC(=O)CNC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C19H16IN3O3/c1-2-11-26-17-10-6-3-7-14(17)12-22-23-18(24)13-21-19(25)15-8-4-5-9-16(15)20/h1,3-10,12H,11,13H2,(H,21,25)(H,23,24)/b22-12+
InChIKey
FSVOFSXOIYPUEA-WSDLNYQXSA-N
Compound name
2-iodo-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

461.02365 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.03093 205.8
[M+Na]+ 484.01287 205.8
[M-H]- 460.01637 203.5
[M+NH4]+ 479.05747 211.6
[M+K]+ 499.98681 205.5
[M+H-H2O]+ 444.02091 187.1
[M+HCOO]- 506.02185 220.2
[M+CH3COO]- 520.03750 230.9
[M+Na-2H]- 481.99832 195.0
[M]+ 461.02310 198.4
[M]- 461.02420 198.4
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.