CID 24847362

Tripropylamine, 3-(p-(phenoxymethyl)phenyl)-

Structural Information

Molecular Formula
C22H31NO
SMILES
CCCN(CCC)CCCC1=CC=C(C=C1)COC2=CC=CC=C2
InChI
InChI=1S/C22H31NO/c1-3-16-23(17-4-2)18-8-9-20-12-14-21(15-13-20)19-24-22-10-6-5-7-11-22/h5-7,10-15H,3-4,8-9,16-19H2,1-2H3
InChIKey
YDRNONWLUQNZJQ-UHFFFAOYSA-N
Compound name
3-[4-(phenoxymethyl)phenyl]-N,N-dipropylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.24057 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.247846 184.2
[M+Na]+ 348.229788 187.4
[M-H]- 324.233294 190.6
[M+NH4]+ 343.274393 198.3
[M+K]+ 364.203728 183.4
[M+H-H2O]+ 308.237830 174.5
[M+HCOO]- 370.238771 207.5
[M+CH3COO]- 384.254421 217.4
[M+Na-2H]- 346.215236 186.6
[M]+ 325.24002142 188.3
[M]- 325.24111858 188.3
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.