CID 4195302

83368-91-6

Structural Information

Molecular Formula
C15H14INO2
SMILES
COC1=C(C=C(C=C1)C=NC2=CC=C(C=C2)I)OC
InChI
InChI=1S/C15H14INO2/c1-18-14-8-3-11(9-15(14)19-2)10-17-13-6-4-12(16)5-7-13/h3-10H,1-2H3
InChIKey
SFKGBUCNJMWUOX-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.00693 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.01421 169.8
[M+Na]+ 389.99615 170.9
[M-H]- 365.99965 170.5
[M+NH4]+ 385.04075 182.2
[M+K]+ 405.97009 173.8
[M+H-H2O]+ 350.00419 157.8
[M+HCOO]- 412.00513 191.0
[M+CH3COO]- 426.02078 208.6
[M+Na-2H]- 387.98160 163.1
[M]+ 367.00638 170.5
[M]- 367.00748 170.5
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.