CID 39648

50341-76-9

Structural Information

Molecular Formula
C21H30N2O
SMILES
CCCCN(CCN(CC)CC)C(=O)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C21H30N2O/c1-4-7-14-23(16-15-22(5-2)6-3)21(24)20-13-12-18-10-8-9-11-19(18)17-20/h8-13,17H,4-7,14-16H2,1-3H3
InChIKey
STIYSIIPFGYGFP-UHFFFAOYSA-N
Compound name
N-butyl-N-[2-(diethylamino)ethyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2358 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 184.6
[M+Na]+ 349.22502 187.5
[M-H]- 325.22852 190.2
[M+NH4]+ 344.26962 200.1
[M+K]+ 365.19896 185.1
[M+H-H2O]+ 309.23306 175.5
[M+HCOO]- 371.23400 207.2
[M+CH3COO]- 385.24965 223.9
[M+Na-2H]- 347.21047 186.6
[M]+ 326.23525 188.8
[M]- 326.23635 188.8
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

No patent data available for this compound.