CID 208576

Brn 1175099

Structural Information

Molecular Formula
C24H32N2O3
SMILES
C1COCCN1CCC(CCN2CCOCC2)(C=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H32N2O3/c27-20-24(8-10-25-12-16-28-17-13-25,9-11-26-14-18-29-19-15-26)23-7-3-5-21-4-1-2-6-22(21)23/h1-7,20H,8-19H2
InChIKey
RSKJZLCBMUJKLC-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2413 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.24858 198.4
[M+Na]+ 419.23052 198.5
[M-H]- 395.23402 204.0
[M+NH4]+ 414.27512 203.2
[M+K]+ 435.20446 195.6
[M+H-H2O]+ 379.23856 186.0
[M+HCOO]- 441.23950 206.1
[M+CH3COO]- 455.25515 204.0
[M+Na-2H]- 417.21597 201.5
[M]+ 396.24075 193.5
[M]- 396.24185 193.5
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.