CID 49817

67367-73-1

Structural Information

Molecular Formula
C24H29NO
SMILES
CC(C)N(CC1=CC=CC=C1)CC(=O)C2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C24H29NO/c1-17(2)25(15-18-8-4-3-5-9-18)16-23(26)24-21-12-6-10-19(21)14-20-11-7-13-22(20)24/h3-5,8-9,14,17H,6-7,10-13,15-16H2,1-2H3
InChIKey
GSJUQXFRIAOSKK-UHFFFAOYSA-N
Compound name
2-[benzyl(propan-2-yl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.2249 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.232176 189.9
[M+Na]+ 370.214118 192.9
[M-H]- 346.217624 198.4
[M+NH4]+ 365.258723 208.2
[M+K]+ 386.188058 188.3
[M+H-H2O]+ 330.222160 182.2
[M+HCOO]- 392.223101 208.7
[M+CH3COO]- 406.238751 199.4
[M+Na-2H]- 368.199566 186.6
[M]+ 347.22435142 189.2
[M]- 347.22544858 189.2
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.