CID 35948

3,5-dimethoxy-4-(2-morpholinoethoxy)benzophenone hydrochloride

Structural Information

Molecular Formula
C21H25NO5
SMILES
COC1=CC(=CC(=C1OCCN2CCOCC2)OC)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO5/c1-24-18-14-17(20(23)16-6-4-3-5-7-16)15-19(25-2)21(18)27-13-10-22-8-11-26-12-9-22/h3-7,14-15H,8-13H2,1-2H3
InChIKey
HMCGGLXWOWYEGN-UHFFFAOYSA-N
Compound name
[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

371.17328 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.180556 188.9
[M+Na]+ 394.162498 192.8
[M-H]- 370.166004 196.7
[M+NH4]+ 389.207103 197.3
[M+K]+ 410.136438 191.2
[M+H-H2O]+ 354.170540 177.8
[M+HCOO]- 416.171481 205.6
[M+CH3COO]- 430.187131 216.6
[M+Na-2H]- 392.147946 190.1
[M]+ 371.17273142 191.3
[M]- 371.17382858 191.3
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

patents stripe