CID 9931

3-furanpropylamine, n,n-dimethyl-2,5-diphenyl-, hydrochloride

Structural Information

Molecular Formula
C21H23NO
SMILES
CN(C)CCCC1=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H23NO/c1-22(2)15-9-14-19-16-20(17-10-5-3-6-11-17)23-21(19)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3
InChIKey
ZKJABCBIEOGIGT-UHFFFAOYSA-N
Compound name
3-(2,5-diphenylfuran-3-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17798 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.185256 175.5
[M+Na]+ 328.167198 181.6
[M-H]- 304.170704 187.0
[M+NH4]+ 323.211803 190.9
[M+K]+ 344.141138 178.4
[M+H-H2O]+ 288.175240 166.6
[M+HCOO]- 350.176181 200.4
[M+CH3COO]- 364.191831 211.2
[M+Na-2H]- 326.152646 178.3
[M]+ 305.17743142 178.5
[M]- 305.17852858 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.