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 176.8
[M+Na]+ 345.19372 180.1
[M-H]- 321.19722 183.7
[M+NH4]+ 340.23832 192.3
[M+K]+ 361.16766 180.8
[M+H-H2O]+ 305.20176 170.4
[M+HCOO]- 367.20270 197.0
[M+CH3COO]- 381.21835 219.1
[M+Na-2H]- 343.17917 181.1
[M]+ 322.20395 174.6
[M]- 322.20505 174.6
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.