CID 3055377

72336-01-7

Structural Information

Molecular Formula
C21H26N2O
SMILES
CCN(CC)CC(=O)NC1CC(C2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O/c1-3-23(4-2)15-21(24)22-20-14-19(16-10-6-5-7-11-16)17-12-8-9-13-18(17)20/h5-13,19-20H,3-4,14-15H2,1-2H3,(H,22,24)
InChIKey
LFNKDROYGHZTAK-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(3-phenyl-2,3-dihydro-1H-inden-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 180.0
[M+Na]+ 345.19372 183.9
[M-H]- 321.19722 188.0
[M+NH4]+ 340.23832 196.7
[M+K]+ 361.16766 179.8
[M+H-H2O]+ 305.20176 171.4
[M+HCOO]- 367.20270 203.0
[M+CH3COO]- 381.21835 217.6
[M+Na-2H]- 343.17917 181.2
[M]+ 322.20395 180.2
[M]- 322.20505 180.2
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.