CID 5626

Pnu-99194a

Structural Information

Molecular Formula
C17H27NO2
SMILES
CCCN(CCC)C1CC2=CC(=C(C=C2C1)OC)OC
InChI
InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3
InChIKey
UOLJKAPABHXFRE-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

79
References

282
Patents

277.2042 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.211476 168.9
[M+Na]+ 300.193418 175.0
[M-H]- 276.196924 174.2
[M+NH4]+ 295.238023 188.8
[M+K]+ 316.167358 173.1
[M+H-H2O]+ 260.201460 162.1
[M+HCOO]- 322.202401 191.8
[M+CH3COO]- 336.218051 208.9
[M+Na-2H]- 298.178866 170.0
[M]+ 277.20365142 174.2
[M]- 277.20474858 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe