CID 115654

63992-28-9

Structural Information

Molecular Formula
C21H26N2O
SMILES
CN(C)CCCC(=O)NC1C(CC2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O/c1-23(2)14-8-13-20(24)22-21-18-12-7-6-11-17(18)15-19(21)16-9-4-3-5-10-16/h3-7,9-12,19,21H,8,13-15H2,1-2H3,(H,22,24)
InChIKey
MLVDEEOAFORGGV-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.211776 180.0
[M+Na]+ 345.193718 183.9
[M-H]- 321.197224 188.0
[M+NH4]+ 340.238323 196.7
[M+K]+ 361.167658 179.8
[M+H-H2O]+ 305.201760 171.4
[M+HCOO]- 367.202701 203.0
[M+CH3COO]- 381.218351 217.6
[M+Na-2H]- 343.179166 181.2
[M]+ 322.20395142 180.2
[M]- 322.20504858 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.