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]+ 340.26351 189.5
[M+Na]+ 362.24545 190.9
[M-H]- 338.24895 195.3
[M+NH4]+ 357.29005 202.5
[M+K]+ 378.21939 187.2
[M+H-H2O]+ 322.25349 179.5
[M+HCOO]- 384.25443 211.3
[M+CH3COO]- 398.27008 220.0
[M+Na-2H]- 360.23090 190.8
[M]+ 339.25568 192.8
[M]- 339.25678 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.