CID 3042237

4-(3-((3,5-dichlorophenyl)-4-pyridinylamino)-1-oxopropyl)-2,6-dimethylmorpholine hcl h2o

Structural Information

Molecular Formula
C20H23Cl2N3O2
SMILES
CC1CN(CC(O1)C)C(=O)CCN(C2=CC=NC=C2)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C20H23Cl2N3O2/c1-14-12-24(13-15(2)27-14)20(26)5-8-25(18-3-6-23-7-4-18)19-10-16(21)9-17(22)11-19/h3-4,6-7,9-11,14-15H,5,8,12-13H2,1-2H3
InChIKey
FYWIJEOVFNDXID-UHFFFAOYSA-N
Compound name
3-(3,5-dichloro-N-pyridin-4-ylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.11673 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.12401 196.8
[M+Na]+ 430.10595 202.9
[M-H]- 406.10945 203.9
[M+NH4]+ 425.15055 204.8
[M+K]+ 446.07989 198.0
[M+H-H2O]+ 390.11399 186.1
[M+HCOO]- 452.11493 203.7
[M+CH3COO]- 466.13058 226.2
[M+Na-2H]- 428.09140 196.0
[M]+ 407.11618 199.7
[M]- 407.11728 199.7
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.