CID 380926

Nsc666712

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CC(C)CNC(=O)CCC1=C2C(=CC=C1)C3=CC=CC(=C3O2)CCN
InChI
InChI=1S/C21H26N2O2/c1-14(2)13-23-19(24)10-9-15-5-3-7-17-18-8-4-6-16(11-12-22)21(18)25-20(15)17/h3-8,14H,9-13,22H2,1-2H3,(H,23,24)
InChIKey
YTCNYFLFSXWAPC-UHFFFAOYSA-N
Compound name
3-[6-(2-aminoethyl)dibenzofuran-4-yl]-N-(2-methylpropyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 185.3
[M+Na]+ 361.18865 191.7
[M-H]- 337.19215 190.7
[M+NH4]+ 356.23325 200.8
[M+K]+ 377.16259 187.7
[M+H-H2O]+ 321.19669 177.8
[M+HCOO]- 383.19763 206.5
[M+CH3COO]- 397.21328 219.4
[M+Na-2H]- 359.17410 187.6
[M]+ 338.19888 189.2
[M]- 338.19998 189.2
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.