CID 36130

Brn 2506192

Structural Information

Molecular Formula
C17H22N2O
SMILES
CCN(CC)CCNC(=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C17H22N2O/c1-3-19(4-2)13-12-18-17(20)16-11-7-9-14-8-5-6-10-15(14)16/h5-11H,3-4,12-13H2,1-2H3,(H,18,20)
InChIKey
YQQYHGKBWVVGGB-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.17322 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 165.2
[M+Na]+ 293.16244 169.9
[M-H]- 269.16594 170.2
[M+NH4]+ 288.20704 182.5
[M+K]+ 309.13638 167.0
[M+H-H2O]+ 253.17048 157.2
[M+HCOO]- 315.17142 188.9
[M+CH3COO]- 329.18707 208.6
[M+Na-2H]- 291.14789 170.3
[M]+ 270.17267 166.8
[M]- 270.17377 166.8
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

patents stripe