CID 479127

(4-chloro-benzyl)-(2-morpholin-4-yl-phenyl)-amine

Structural Information

Molecular Formula
C17H19ClN2O
SMILES
C1COCCN1C2=CC=CC=C2NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2O/c18-15-7-5-14(6-8-15)13-19-16-3-1-2-4-17(16)20-9-11-21-12-10-20/h1-8,19H,9-13H2
InChIKey
XSOXDFPYPKYIRW-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

302.1186 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12588 171.1
[M+Na]+ 325.10782 176.4
[M-H]- 301.11132 178.7
[M+NH4]+ 320.15242 183.2
[M+K]+ 341.08176 171.3
[M+H-H2O]+ 285.11586 161.4
[M+HCOO]- 347.11680 185.7
[M+CH3COO]- 361.13245 181.1
[M+Na-2H]- 323.09327 175.9
[M]+ 302.11805 169.0
[M]- 302.11915 169.0
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

No patent data available for this compound.