CID 479128

(4-chloro-benzyl)-(3-morpholin-4-yl-phenyl)-amine

Structural Information

Molecular Formula
C17H19ClN2O
SMILES
C1COCCN1C2=CC=CC(=C2)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2O/c18-15-6-4-14(5-7-15)13-19-16-2-1-3-17(12-16)20-8-10-21-11-9-20/h1-7,12,19H,8-11,13H2
InChIKey
QLQJCFDLWGRUND-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
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

patents stripe