CID 116297

4-(3,4,5-tributoxybenzoyl)morpholine

Structural Information

Molecular Formula
C23H37NO5
SMILES
CCCCOC1=CC(=CC(=C1OCCCC)OCCCC)C(=O)N2CCOCC2
InChI
InChI=1S/C23H37NO5/c1-4-7-12-27-20-17-19(23(25)24-10-15-26-16-11-24)18-21(28-13-8-5-2)22(20)29-14-9-6-3/h17-18H,4-16H2,1-3H3
InChIKey
UCEVRODERGRCDG-UHFFFAOYSA-N
Compound name
morpholin-4-yl-(3,4,5-tributoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.26718 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.27446 204.0
[M+Na]+ 430.25640 205.9
[M-H]- 406.25990 207.7
[M+NH4]+ 425.30100 211.7
[M+K]+ 446.23034 204.3
[M+H-H2O]+ 390.26444 193.6
[M+HCOO]- 452.26538 218.8
[M+CH3COO]- 466.28103 225.7
[M+Na-2H]- 428.24185 201.9
[M]+ 407.26663 209.9
[M]- 407.26773 209.9
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.