CID 3042234

N-(3,5-dichlorophenyl)-n-4-pyridinyl-4-morpholinepropanamine mono(2-hydroxybenzoate)

Structural Information

Molecular Formula
C18H21Cl2N3O
SMILES
C1COCCN1CCCN(C2=CC=NC=C2)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C18H21Cl2N3O/c19-15-12-16(20)14-18(13-15)23(17-2-4-21-5-3-17)7-1-6-22-8-10-24-11-9-22/h2-5,12-14H,1,6-11H2
InChIKey
GXSFWMRUQCIEJF-UHFFFAOYSA-N
Compound name
N-(3,5-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.10617 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11345 185.5
[M+Na]+ 388.09539 190.7
[M-H]- 364.09889 191.8
[M+NH4]+ 383.13999 194.6
[M+K]+ 404.06933 185.5
[M+H-H2O]+ 348.10343 174.4
[M+HCOO]- 410.10437 193.5
[M+CH3COO]- 424.12002 193.9
[M+Na-2H]- 386.08084 188.1
[M]+ 365.10562 186.7
[M]- 365.10672 186.7
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.