CID 15388874

1,5-diphenylpentan-3-amine

Structural Information

Molecular Formula
C17H21N
SMILES
C1=CC=C(C=C1)CCC(CCC2=CC=CC=C2)N
InChI
InChI=1S/C17H21N/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17H,11-14,18H2
InChIKey
PBKWJPMGHCRYGT-UHFFFAOYSA-N
Compound name
1,5-diphenylpentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

239.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.174676 158.2
[M+Na]+ 262.156618 162.4
[M-H]- 238.160124 163.4
[M+NH4]+ 257.201223 174.7
[M+K]+ 278.130558 157.7
[M+H-H2O]+ 222.164660 150.2
[M+HCOO]- 284.165601 181.0
[M+CH3COO]- 298.181251 196.1
[M+Na-2H]- 260.142066 162.8
[M]+ 239.16685142 156.0
[M]- 239.16794858 156.0
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