CID 3055379

2-(diethylamino)-n-(10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)acetamide hydrochloride

Structural Information

Molecular Formula
C21H26N2O
SMILES
CCN(CC)CC(=O)NC1C2=CC=CC=C2CCC3=CC=CC=C13
InChI
InChI=1S/C21H26N2O/c1-3-23(4-2)15-20(24)22-21-18-11-7-5-9-16(18)13-14-17-10-6-8-12-19(17)21/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,24)
InChIKey
MJYPHACLQDNDBB-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.2045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 177.4
[M+Na]+ 345.19372 187.3
[M+NH4]+ 340.23832 185.4
[M+K]+ 361.16766 180.5
[M-H]- 321.19722 181.8
[M+Na-2H]- 343.17917 182.9
[M]+ 322.20395 180.1
[M]- 322.20505 180.1
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.