CID 35952

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

Structural Information

Molecular Formula
C23H29NO6
SMILES
COC1=CC(=CC(=C1OCCOCCN2CCOCC2)OC)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO6/c1-26-20-16-19(22(25)18-6-4-3-5-7-18)17-21(27-2)23(20)30-15-14-29-13-10-24-8-11-28-12-9-24/h3-7,16-17H,8-15H2,1-2H3
InChIKey
YIXNXEHFCWOJAQ-UHFFFAOYSA-N
Compound name
[3,5-dimethoxy-4-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1995 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.20678 200.2
[M+Na]+ 438.18872 202.9
[M-H]- 414.19222 207.5
[M+NH4]+ 433.23332 206.6
[M+K]+ 454.16266 201.7
[M+H-H2O]+ 398.19676 188.5
[M+HCOO]- 460.19770 216.4
[M+CH3COO]- 474.21335 224.6
[M+Na-2H]- 436.17417 200.5
[M]+ 415.19895 204.6
[M]- 415.20005 204.6
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.