CID 479138

Biphenyl-4-ylmethyl-(3-thiomorpholin-4-yl-phenyl)-amine

Structural Information

Molecular Formula
C23H24N2S
SMILES
C1CSCCN1C2=CC=CC(=C2)NCC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H24N2S/c1-2-5-20(6-3-1)21-11-9-19(10-12-21)18-24-22-7-4-8-23(17-22)25-13-15-26-16-14-25/h1-12,17,24H,13-16,18H2
InChIKey
PKSAVUSXCDHRDC-UHFFFAOYSA-N
Compound name
N-[(4-phenylphenyl)methyl]-3-thiomorpholin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

360.16602 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17330 183.9
[M+Na]+ 383.15524 187.9
[M-H]- 359.15874 193.5
[M+NH4]+ 378.19984 194.3
[M+K]+ 399.12918 179.9
[M+H-H2O]+ 343.16328 172.9
[M+HCOO]- 405.16422 198.5
[M+CH3COO]- 419.17987 192.3
[M+Na-2H]- 381.14069 186.0
[M]+ 360.16547 179.2
[M]- 360.16657 179.2
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.