CID 10251906

25i-nbome

Structural Information

Molecular Formula
C18H22INO3
SMILES
COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)I)OC
InChI
InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKey
ZFUOLNAKPBFDIJ-UHFFFAOYSA-N
Compound name
2-(4-iodo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

53
References

184
Patents

427.06445 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.07173 191.9
[M+Na]+ 450.05367 197.4
[M+NH4]+ 445.09827 194.8
[M+K]+ 466.02761 192.3
[M-H]- 426.05717 190.0
[M+Na-2H]- 448.03912 185.9
[M]+ 427.06390 191.1
[M]- 427.06500 191.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe