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]+ 319.18050 175.4
[M+Na]+ 341.16244 179.6
[M-H]- 317.16594 183.7
[M+NH4]+ 336.20704 186.6
[M+K]+ 357.13638 174.5
[M+H-H2O]+ 301.17048 164.3
[M+HCOO]- 363.17142 192.9
[M+CH3COO]- 377.18707 184.7
[M+Na-2H]- 339.14789 181.7
[M]+ 318.17267 171.0
[M]- 318.17377 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.