CID 473246

210686-42-3

Structural Information

Molecular Formula
C24H26N2S
SMILES
C1CSCCN1CC2=CC=C(C=C2)NCC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H26N2S/c1-2-4-22(5-3-1)23-10-6-20(7-11-23)18-25-24-12-8-21(9-13-24)19-26-14-16-27-17-15-26/h1-13,25H,14-19H2
InChIKey
FBNUXMMOVSDLKF-UHFFFAOYSA-N
Compound name
N-[(4-phenylphenyl)methyl]-4-(thiomorpholin-4-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

374.18167 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18895 188.0
[M+Na]+ 397.17089 191.5
[M-H]- 373.17439 197.3
[M+NH4]+ 392.21549 197.8
[M+K]+ 413.14483 183.4
[M+H-H2O]+ 357.17893 176.8
[M+HCOO]- 419.17987 202.2
[M+CH3COO]- 433.19552 196.0
[M+Na-2H]- 395.15634 189.6
[M]+ 374.18112 183.6
[M]- 374.18222 183.6
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.