CID 49817

Vufb-10604

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]+ 348.23218 189.9
[M+Na]+ 370.21412 192.9
[M-H]- 346.21762 198.4
[M+NH4]+ 365.25872 208.2
[M+K]+ 386.18806 188.3
[M+H-H2O]+ 330.22216 182.2
[M+HCOO]- 392.22310 208.7
[M+CH3COO]- 406.23875 199.4
[M+Na-2H]- 368.19957 186.6
[M]+ 347.22435 189.2
[M]- 347.22545 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.