CID 45054662

N-(2-(2-(3-(allyloxy)benzylidene)hydrazino)-2-oxoethyl)-2-iodobenzamide

Structural Information

Molecular Formula
C19H18IN3O3
SMILES
C=CCOC1=CC=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C19H18IN3O3/c1-2-10-26-15-7-5-6-14(11-15)12-22-23-18(24)13-21-19(25)16-8-3-4-9-17(16)20/h2-9,11-12H,1,10,13H2,(H,21,25)(H,23,24)/b22-12+
InChIKey
NVQUWSDEYGPLMN-WSDLNYQXSA-N
Compound name
2-iodo-N-[2-oxo-2-[(2E)-2-[(3-prop-2-enoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.03928 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.04656 202.5
[M+Na]+ 486.02850 199.4
[M-H]- 462.03200 202.2
[M+NH4]+ 481.07310 209.6
[M+K]+ 502.00244 201.4
[M+H-H2O]+ 446.03654 188.7
[M+HCOO]- 508.03748 222.9
[M+CH3COO]- 522.05313 228.6
[M+Na-2H]- 484.01395 192.4
[M]+ 463.03873 200.6
[M]- 463.03983 200.6
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.