CID 966649

4-iodo-n-(4-methoxybenzylidene)aniline

Structural Information

Molecular Formula
C14H12INO
SMILES
COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)I
InChI
InChI=1S/C14H12INO/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-10H,1H3
InChIKey
KYXOANCXPAQAGL-UHFFFAOYSA-N
Compound name
N-(4-iodophenyl)-1-(4-methoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

336.99637 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.00365 161.0
[M+Na]+ 359.98559 161.9
[M-H]- 335.98909 161.6
[M+NH4]+ 355.03019 174.4
[M+K]+ 375.95953 164.4
[M+H-H2O]+ 319.99363 149.4
[M+HCOO]- 381.99457 182.5
[M+CH3COO]- 396.01022 202.8
[M+Na-2H]- 357.97104 155.7
[M]+ 336.99582 159.8
[M]- 336.99692 159.8
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

patents stripe