CID 16226791

1,4-diphenylbutan-1-amine hydrochloride

Structural Information

Molecular Formula
C16H19N
SMILES
C1=CC=C(C=C1)CCCC(C2=CC=CC=C2)N
InChI
InChI=1S/C16H19N/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,16H,7,10,13,17H2
InChIKey
NHFFVYVFZANMOU-UHFFFAOYSA-N
Compound name
1,4-diphenylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

225.15175 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.15903 153.6
[M+Na]+ 248.14097 158.3
[M-H]- 224.14447 159.0
[M+NH4]+ 243.18557 170.7
[M+K]+ 264.11491 153.9
[M+H-H2O]+ 208.14901 145.9
[M+HCOO]- 270.14995 176.8
[M+CH3COO]- 284.16560 193.1
[M+Na-2H]- 246.12642 158.8
[M]+ 225.15120 151.1
[M]- 225.15230 151.1
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