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
6
Annotation Hits

3
References

510
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

literature stripe

Patent stripe

patents stripe