CID 458790

4-amino-n-(2-morpholinoethyl)naphthalene-1-carboxamide

Structural Information

Molecular Formula
C17H21N3O2
SMILES
C1COCCN1CCNC(=O)C2=CC=C(C3=CC=CC=C32)N
InChI
InChI=1S/C17H21N3O2/c18-16-6-5-15(13-3-1-2-4-14(13)16)17(21)19-7-8-20-9-11-22-12-10-20/h1-6H,7-12,18H2,(H,19,21)
InChIKey
XNYWGEPZPMVXLW-UHFFFAOYSA-N
Compound name
4-amino-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1634 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17068 170.3
[M+Na]+ 322.15262 174.1
[M-H]- 298.15612 175.4
[M+NH4]+ 317.19722 182.3
[M+K]+ 338.12656 170.8
[M+H-H2O]+ 282.16066 160.7
[M+HCOO]- 344.16160 187.9
[M+CH3COO]- 358.17725 207.8
[M+Na-2H]- 320.13807 175.0
[M]+ 299.16285 165.9
[M]- 299.16395 165.9
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.