CID 116475

64057-66-5

Structural Information

Molecular Formula
C16H19N
SMILES
CN(CCC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C16H19N/c1-17(14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3
InChIKey
XSFWMVNBEHPQHZ-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

225.15175 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.159026 153.0
[M+Na]+ 248.140968 158.0
[M-H]- 224.144474 160.3
[M+NH4]+ 243.185573 171.0
[M+K]+ 264.114908 154.9
[M+H-H2O]+ 208.149010 144.8
[M+HCOO]- 270.149951 178.2
[M+CH3COO]- 284.165601 196.5
[M+Na-2H]- 246.126416 159.6
[M]+ 225.15120142 153.2
[M]- 225.15229858 153.2
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