CID 59067

101872-47-3

Structural Information

Molecular Formula
C18H28N2O
SMILES
CCCCCCN1C=C(C2=CC=CC=C21)C(CN(C)C)O
InChI
InChI=1S/C18H28N2O/c1-4-5-6-9-12-20-13-16(18(21)14-19(2)3)15-10-7-8-11-17(15)20/h7-8,10-11,13,18,21H,4-6,9,12,14H2,1-3H3
InChIKey
XNQSVSPIPVCVEC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-(1-hexylindol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.22015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 173.5
[M+Na]+ 311.20937 179.6
[M-H]- 287.21287 176.3
[M+NH4]+ 306.25397 190.7
[M+K]+ 327.18331 176.0
[M+H-H2O]+ 271.21741 165.6
[M+HCOO]- 333.21835 194.9
[M+CH3COO]- 347.23400 208.9
[M+Na-2H]- 309.19482 174.9
[M]+ 288.21960 178.2
[M]- 288.22070 178.2
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

patents stripe