CID 210938

21937-21-3

Structural Information

Molecular Formula
C20H24ClN3O2
SMILES
CC1CN(CC(O1)C)C(=O)CCN(C2=CC=NC=C2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H24ClN3O2/c1-15-13-23(14-16(2)26-15)20(25)8-11-24(18-6-9-22-10-7-18)19-5-3-4-17(21)12-19/h3-7,9-10,12,15-16H,8,11,13-14H2,1-2H3
InChIKey
PLEZHVJTHJGWAA-UHFFFAOYSA-N
Compound name
3-(3-chloro-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

373.1557 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16298 191.2
[M+Na]+ 396.14492 196.1
[M-H]- 372.14842 198.9
[M+NH4]+ 391.18952 199.7
[M+K]+ 412.11886 192.2
[M+H-H2O]+ 356.15296 179.9
[M+HCOO]- 418.15390 203.3
[M+CH3COO]- 432.16955 221.1
[M+Na-2H]- 394.13037 191.9
[M]+ 373.15515 192.4
[M]- 373.15625 192.4
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.