CID 48257

66902-49-6

Structural Information

Molecular Formula
C24H31NO3
SMILES
C1COCCN1CCCCCCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H31NO3/c26-24(28-18-10-2-1-9-15-25-16-19-27-20-17-25)23(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-14,23H,1-2,9-10,15-20H2
InChIKey
LMRGRENNIRFQQZ-UHFFFAOYSA-N
Compound name
6-morpholin-4-ylhexyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2304 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.237676 196.5
[M+Na]+ 404.219618 196.3
[M-H]- 380.223124 202.5
[M+NH4]+ 399.264223 203.7
[M+K]+ 420.193558 193.0
[M+H-H2O]+ 364.227660 184.9
[M+HCOO]- 426.228601 210.8
[M+CH3COO]- 440.244251 217.7
[M+Na-2H]- 402.205066 196.8
[M]+ 381.22985142 194.9
[M]- 381.23094858 194.9
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.