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]+ 326.24785 184.2
[M+Na]+ 348.22979 187.4
[M-H]- 324.23329 190.6
[M+NH4]+ 343.27439 198.3
[M+K]+ 364.20373 183.4
[M+H-H2O]+ 308.23783 174.5
[M+HCOO]- 370.23877 207.5
[M+CH3COO]- 384.25442 217.4
[M+Na-2H]- 346.21524 186.6
[M]+ 325.24002 188.3
[M]- 325.24112 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.