CID 499906

N-(1-naphthylmethyl)-4-thiomorpholino-aniline

Structural Information

Molecular Formula
C21H22N2S
SMILES
C1CSCCN1C2=CC=C(C=C2)NCC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H22N2S/c1-2-7-21-17(4-1)5-3-6-18(21)16-22-19-8-10-20(11-9-19)23-12-14-24-15-13-23/h1-11,22H,12-16H2
InChIKey
MRGOBDJNZHJPNE-UHFFFAOYSA-N
Compound name
N-(naphthalen-1-ylmethyl)-4-thiomorpholin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.15036 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15764 175.2
[M+Na]+ 357.13958 180.0
[M-H]- 333.14308 182.8
[M+NH4]+ 352.18418 188.0
[M+K]+ 373.11352 172.7
[M+H-H2O]+ 317.14762 165.3
[M+HCOO]- 379.14856 189.0
[M+CH3COO]- 393.16421 184.3
[M+Na-2H]- 355.12503 179.2
[M]+ 334.14981 171.4
[M]- 334.15091 171.4
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.