CID 201147

Propylamine, n,n-diethyl-3,3-diphenyl-, hydrochloride

Structural Information

Molecular Formula
C19H25N
SMILES
CCN(CC)CCC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H25N/c1-3-20(4-2)16-15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKey
JAWDDAJYAYSIEW-UHFFFAOYSA-N
Compound name
N,N-diethyl-3,3-diphenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

267.1987 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.205976 167.4
[M+Na]+ 290.187918 170.8
[M-H]- 266.191424 174.2
[M+NH4]+ 285.232523 183.6
[M+K]+ 306.161858 167.4
[M+H-H2O]+ 250.195960 158.7
[M+HCOO]- 312.196901 190.6
[M+CH3COO]- 326.212551 206.2
[M+Na-2H]- 288.173366 171.1
[M]+ 267.19815142 168.1
[M]- 267.19924858 168.1
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