CID 58337

Substanz nr. 335

Structural Information

Molecular Formula
C23H33NO
SMILES
CCCCN(CCCC)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C23H33NO/c1-3-5-17-24(18-6-4-2)19-20-25-23(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23H,3-6,17-20H2,1-2H3
InChIKey
KFVKNFBWXWFKHS-UHFFFAOYSA-N
Compound name
N-(2-benzhydryloxyethyl)-N-butylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.25623 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.263506 189.5
[M+Na]+ 362.245448 190.9
[M-H]- 338.248954 195.3
[M+NH4]+ 357.290053 202.5
[M+K]+ 378.219388 187.2
[M+H-H2O]+ 322.253490 179.5
[M+HCOO]- 384.254431 211.3
[M+CH3COO]- 398.270081 220.0
[M+Na-2H]- 360.230896 190.8
[M]+ 339.25568142 192.8
[M]- 339.25677858 192.8
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.