CID 45054636

2-iodo-n-(2-(2-(1-naphthylmethylene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C20H16IN3O2
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=N/NC(=O)CNC(=O)C3=CC=CC=C3I
InChI
InChI=1S/C20H16IN3O2/c21-18-11-4-3-10-17(18)20(26)22-13-19(25)24-23-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-12H,13H2,(H,22,26)(H,24,25)/b23-12+
InChIKey
CIWQADPTDKZMBC-FSJBWODESA-N
Compound name
2-iodo-N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.02872 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.03600 194.9
[M+Na]+ 480.01794 192.6
[M-H]- 456.02144 195.4
[M+NH4]+ 475.06254 203.1
[M+K]+ 495.99188 193.8
[M+H-H2O]+ 440.02598 181.3
[M+HCOO]- 502.02692 214.4
[M+CH3COO]- 516.04257 227.9
[M+Na-2H]- 478.00339 188.2
[M]+ 457.02817 191.5
[M]- 457.02927 191.5
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.