CID 10914757

1070788-08-7

Structural Information

Molecular Formula
C23H33NO
SMILES
C1=CC=C(C=C1)CCCCOCCCCCCNCC2=CC=CC=C2
InChI
InChI=1S/C23H33NO/c1(10-18-24-21-23-16-7-4-8-17-23)2-11-19-25-20-12-9-15-22-13-5-3-6-14-22/h3-8,13-14,16-17,24H,1-2,9-12,15,18-21H2
InChIKey
JWLIKZBRVQRFNF-UHFFFAOYSA-N
Compound name
N-benzyl-6-(4-phenylbutoxy)hexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

339.25623 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.26351 187.2
[M+Na]+ 362.24545 188.9
[M-H]- 338.24895 191.5
[M+NH4]+ 357.29005 199.7
[M+K]+ 378.21939 183.2
[M+H-H2O]+ 322.25349 177.4
[M+HCOO]- 384.25443 209.7
[M+CH3COO]- 398.27008 215.8
[M+Na-2H]- 360.23090 190.7
[M]+ 339.25568 190.0
[M]- 339.25678 190.0
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

patents stripe