CID 3016422

4-methoxy-alpha-methyl-n-(phenylmethyl)benzeneethanamine

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

176
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 161.1
[M+Na]+ 278.15153 166.2
[M-H]- 254.15503 167.2
[M+NH4]+ 273.19613 177.5
[M+K]+ 294.12547 162.5
[M+H-H2O]+ 238.15957 153.0
[M+HCOO]- 300.16051 184.7
[M+CH3COO]- 314.17616 199.9
[M+Na-2H]- 276.13698 166.0
[M]+ 255.16176 161.7
[M]- 255.16286 161.7
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