CID 211582

23410-76-6

Structural Information

Molecular Formula
C21H28ClN3O
SMILES
CC1CN(CC(O1)C)CC(C)CN(C2=CC=NC=C2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C21H28ClN3O/c1-16(12-24-14-17(2)26-18(3)15-24)13-25(20-7-9-23-10-8-20)21-6-4-5-19(22)11-21/h4-11,16-18H,12-15H2,1-3H3
InChIKey
RSLWRKBRRVAPDQ-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-N-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.19208 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.19936 193.7
[M+Na]+ 396.18130 197.9
[M-H]- 372.18480 201.0
[M+NH4]+ 391.22590 202.3
[M+K]+ 412.15524 193.6
[M+H-H2O]+ 356.18934 182.2
[M+HCOO]- 418.19028 204.9
[M+CH3COO]- 432.20593 223.2
[M+Na-2H]- 394.16675 193.7
[M]+ 373.19153 194.5
[M]- 373.19263 194.5
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.