CID 46856354

25c-nbome

Structural Information

Molecular Formula
C18H22ClNO3
SMILES
COC1=CC=CC=C1CNCCC2=CC(=C(C=C2OC)Cl)OC
InChI
InChI=1S/C18H22ClNO3/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
FJFPOGCVVLUYAQ-UHFFFAOYSA-N
Compound name
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

139
Patents

335.1288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13608 178.0
[M+Na]+ 358.11802 186.2
[M-H]- 334.12152 184.8
[M+NH4]+ 353.16262 192.8
[M+K]+ 374.09196 181.4
[M+H-H2O]+ 318.12606 170.3
[M+HCOO]- 380.12700 198.1
[M+CH3COO]- 394.14265 213.3
[M+Na-2H]- 356.10347 180.9
[M]+ 335.12825 185.8
[M]- 335.12935 185.8
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