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

0
Patents

371.17328 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18056 188.9
[M+Na]+ 394.16250 192.8
[M-H]- 370.16600 196.7
[M+NH4]+ 389.20710 197.3
[M+K]+ 410.13644 191.2
[M+H-H2O]+ 354.17054 177.8
[M+HCOO]- 416.17148 205.6
[M+CH3COO]- 430.18713 216.6
[M+Na-2H]- 392.14795 190.1
[M]+ 371.17273 191.3
[M]- 371.17383 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