CID 3016422

43229-65-8

Structural Information

Molecular Formula
C17H21NO
SMILES
CC(CC1=CC=C(C=C1)OC)NCC2=CC=CC=C2
InChI
InChI=1S/C17H21NO/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15/h3-11,14,18H,12-13H2,1-2H3
InChIKey
CVGPWMGXKOKNFD-UHFFFAOYSA-N
Compound name
N-benzyl-1-(4-methoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

255.16231 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 162.2
[M+Na]+ 278.15153 175.9
[M+NH4]+ 273.19613 171.2
[M+K]+ 294.12547 167.2
[M-H]- 254.15503 167.8
[M+Na-2H]- 276.13698 171.8
[M]+ 255.16176 165.8
[M]- 255.16286 165.8
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