CID 35949

Morclofone

Structural Information

Molecular Formula
C21H24ClNO5
SMILES
COC1=CC(=CC(=C1OCCN2CCOCC2)OC)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3
InChIKey
KVCJCEKJKGLBOK-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

536
Patents

405.1343 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.14158 194.8
[M+Na]+ 428.12352 200.5
[M-H]- 404.12702 202.9
[M+NH4]+ 423.16812 203.2
[M+K]+ 444.09746 197.5
[M+H-H2O]+ 388.13156 184.6
[M+HCOO]- 450.13250 207.0
[M+CH3COO]- 464.14815 221.3
[M+Na-2H]- 426.10897 195.0
[M]+ 405.13375 200.1
[M]- 405.13485 200.1
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.