CID 118796506

25c-nb4ome

Structural Information

Molecular Formula
C18H22ClNO3
SMILES
COC1=CC=C(C=C1)CNCCC2=CC(=C(C=C2OC)Cl)OC
InChI
InChI=1S/C18H22ClNO3/c1-21-15-6-4-13(5-7-15)12-20-9-8-14-10-18(23-3)16(19)11-17(14)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKey
QEGZBQXBCVUMCU-UHFFFAOYSA-N
Compound name
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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

No literature data available for this compound.

Patent stripe

patents stripe