CID 209332

19733-78-9

Structural Information

Molecular Formula
C23H31NO
SMILES
CN(CCCC1=CC=C(C=C1)COC2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C23H31NO/c1-24(22-10-4-2-5-11-22)18-8-9-20-14-16-21(17-15-20)19-25-23-12-6-3-7-13-23/h3,6-7,12-17,22H,2,4-5,8-11,18-19H2,1H3
InChIKey
QQMHPPORADMZRA-UHFFFAOYSA-N
Compound name
N-methyl-N-[3-[4-(phenoxymethyl)phenyl]propyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24057 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24785 185.2
[M+Na]+ 360.22979 186.0
[M-H]- 336.23329 193.7
[M+NH4]+ 355.27439 197.8
[M+K]+ 376.20373 181.8
[M+H-H2O]+ 320.23783 174.5
[M+HCOO]- 382.23877 205.0
[M+CH3COO]- 396.25442 217.2
[M+Na-2H]- 358.21524 186.5
[M]+ 337.24002 182.4
[M]- 337.24112 182.4
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.