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]+ 323.211776 176.8
[M+Na]+ 345.193718 180.1
[M-H]- 321.197224 183.7
[M+NH4]+ 340.238323 192.3
[M+K]+ 361.167658 180.8
[M+H-H2O]+ 305.201760 170.4
[M+HCOO]- 367.202701 197.0
[M+CH3COO]- 381.218351 219.1
[M+Na-2H]- 343.179166 181.1
[M]+ 322.20395142 174.6
[M]- 322.20504858 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.