CID 3063327

Brn 3397630

Structural Information

Molecular Formula
C21H29NO
SMILES
CCCCN(C)CCCC1=CC=C(C=C1)COC2=CC=CC=C2
InChI
InChI=1S/C21H29NO/c1-3-4-16-22(2)17-8-9-19-12-14-20(15-13-19)18-23-21-10-6-5-7-11-21/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3
InChIKey
XHTNRBBPTQXREP-UHFFFAOYSA-N
Compound name
N-methyl-N-[3-[4-(phenoxymethyl)phenyl]propyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2249 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23218 179.9
[M+Na]+ 334.21412 193.3
[M+NH4]+ 329.25872 188.6
[M+K]+ 350.18806 183.4
[M-H]- 310.21762 185.9
[M+Na-2H]- 332.19957 189.0
[M]+ 311.22435 183.7
[M]- 311.22545 183.7
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.