CID 36131

Bunaftine

Structural Information

Molecular Formula
C21H30N2O
SMILES
CCCCN(CCN(CC)CC)C(=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C21H30N2O/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20/h8-14H,4-7,15-17H2,1-3H3
InChIKey
WWGZXRYELYWJBD-UHFFFAOYSA-N
Compound name
N-butyl-N-[2-(diethylamino)ethyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

22
References

766
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 183.2
[M+Na]+ 349.22502 194.1
[M+NH4]+ 344.26962 191.2
[M+K]+ 365.19896 185.8
[M-H]- 325.22852 187.5
[M+Na-2H]- 347.21047 189.0
[M]+ 326.23525 185.9
[M]- 326.23635 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe