CID 5920177

Aronis017776

Structural Information

Molecular Formula
C21H17IN2O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N\NC(=O)C3=CC=CC=C3I
InChI
InChI=1S/C21H17IN2O2/c22-20-9-5-4-8-19(20)21(25)24-23-14-16-10-12-18(13-11-16)26-15-17-6-2-1-3-7-17/h1-14H,15H2,(H,24,25)/b23-14-
InChIKey
MUKLDGLQEVSLEE-UCQKPKSFSA-N
Compound name
2-iodo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.03348 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.04076 202.4
[M+Na]+ 479.02270 208.8
[M+NH4]+ 474.06730 205.7
[M+K]+ 494.99664 202.3
[M-H]- 455.02620 203.6
[M+Na-2H]- 477.00815 200.0
[M]+ 456.03293 202.6
[M]- 456.03403 202.6
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.