CID 9635709

1-(2-(((2-iodobenzoyl)amino)acetyl)carbohydrazonoyl)-2-naphthyl 3-methylbenzoate

Structural Information

Molecular Formula
C28H22IN3O4
SMILES
CC1=CC(=CC=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)CNC(=O)C4=CC=CC=C4I
InChI
InChI=1S/C28H22IN3O4/c1-18-7-6-9-20(15-18)28(35)36-25-14-13-19-8-2-3-10-21(19)23(25)16-31-32-26(33)17-30-27(34)22-11-4-5-12-24(22)29/h2-16H,17H2,1H3,(H,30,34)(H,32,33)/b31-16+
InChIKey
BJIKIPRVHLUHFC-WCMJOSRZSA-N
Compound name
[1-[(E)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

591.0655 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.07278 240.6
[M+Na]+ 614.05472 245.1
[M+NH4]+ 609.09932 241.4
[M+K]+ 630.02866 239.4
[M-H]- 590.05822 241.2
[M+Na-2H]- 612.04017 235.0
[M]+ 591.06495 240.1
[M]- 591.06605 240.1
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.