CID 39648

Brn 2468154

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]+ 327.243076 184.6
[M+Na]+ 349.225018 187.5
[M-H]- 325.228524 190.2
[M+NH4]+ 344.269623 200.1
[M+K]+ 365.198958 185.1
[M+H-H2O]+ 309.233060 175.5
[M+HCOO]- 371.234001 207.2
[M+CH3COO]- 385.249651 223.9
[M+Na-2H]- 347.210466 186.6
[M]+ 326.23525142 188.8
[M]- 326.23634858 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.