CID 9658796

303085-90-7

Structural Information

Molecular Formula
C26H19IN2O4
SMILES
C1=CC=C2C=C(C=CC2=C1)OCC(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4I
InChI
InChI=1S/C26H19IN2O4/c27-24-8-4-3-7-23(24)26(31)33-21-12-9-18(10-13-21)16-28-29-25(30)17-32-22-14-11-19-5-1-2-6-20(19)15-22/h1-16H,17H2,(H,29,30)/b28-16+
InChIKey
OYOUYAMZNLQURA-LQKURTRISA-N
Compound name
[4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.03894 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.04622 218.8
[M+Na]+ 573.02816 216.0
[M-H]- 549.03166 221.4
[M+NH4]+ 568.07276 222.7
[M+K]+ 589.00210 217.1
[M+H-H2O]+ 533.03620 203.0
[M+HCOO]- 595.03714 236.3
[M+CH3COO]- 609.05279 241.1
[M+Na-2H]- 571.01361 210.6
[M]+ 550.03839 217.8
[M]- 550.03949 217.8
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.