CID 129597868

Ns00097055

Structural Information

Molecular Formula
C18H23NO
SMILES
CC1=CC=C(C=C1)C[C@H](C)NCC2=CC=CC=C2OC
InChI
InChI=1S/C18H23NO/c1-14-8-10-16(11-9-14)12-15(2)19-13-17-6-4-5-7-18(17)20-3/h4-11,15,19H,12-13H2,1-3H3/t15-/m0/s1
InChIKey
CBRKBJHWROLUDO-HNNXBMFYSA-N
Compound name
(2S)-N-[(2-methoxyphenyl)methyl]-1-(4-methylphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.185256 165.6
[M+Na]+ 292.167198 171.2
[M-H]- 268.170704 171.9
[M+NH4]+ 287.211803 181.7
[M+K]+ 308.141138 167.3
[M+H-H2O]+ 252.175240 157.5
[M+HCOO]- 314.176181 188.9
[M+CH3COO]- 328.191831 204.0
[M+Na-2H]- 290.152646 169.2
[M]+ 269.17743142 166.9
[M]- 269.17852858 166.9
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

No patent data available for this compound.