CID 499904

3-morpholino-n-(1-naphthylmethyl)aniline

Structural Information

Molecular Formula
C21H22N2O
SMILES
C1COCCN1C2=CC=CC(=C2)NCC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C21H22N2O/c1-2-10-21-17(5-1)6-3-7-18(21)16-22-19-8-4-9-20(15-19)23-11-13-24-14-12-23/h1-10,15,22H,11-14,16H2
InChIKey
VIOCNLLTNMROHK-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-N-(naphthalen-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.17322 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.180496 175.4
[M+Na]+ 341.162438 179.6
[M-H]- 317.165944 183.7
[M+NH4]+ 336.207043 186.6
[M+K]+ 357.136378 174.5
[M+H-H2O]+ 301.170480 164.3
[M+HCOO]- 363.171421 192.9
[M+CH3COO]- 377.187071 184.7
[M+Na-2H]- 339.147886 181.7
[M]+ 318.17267142 171.0
[M]- 318.17376858 171.0
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.