CID 22703

6285-56-9

Structural Information

Molecular Formula
C17H21N
SMILES
CC(CC1=CC=CC=C1)NCCC2=CC=CC=C2
InChI
InChI=1S/C17H21N/c1-15(14-17-10-6-3-7-11-17)18-13-12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3
InChIKey
MRVIUBHXZKIUJZ-UHFFFAOYSA-N
Compound name
1-phenyl-N-(2-phenylethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

239.1674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.174676 157.7
[M+Na]+ 262.156618 161.8
[M-H]- 238.160124 163.4
[M+NH4]+ 257.201223 174.4
[M+K]+ 278.130558 157.5
[M+H-H2O]+ 222.164660 149.6
[M+HCOO]- 284.165601 181.1
[M+CH3COO]- 298.181251 196.8
[M+Na-2H]- 260.142066 163.3
[M]+ 239.16685142 156.4
[M]- 239.16794858 156.4
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