CID 24802108

Schembl4216556

Structural Information

Molecular Formula
C17H26N2O
SMILES
CC(C)N(CCC1=CNC2=C1C(=CC=C2)OC)C(C)C
InChI
InChI=1S/C17H26N2O/c1-12(2)19(13(3)4)10-9-14-11-18-15-7-6-8-16(20-5)17(14)15/h6-8,11-13,18H,9-10H2,1-5H3
InChIKey
WIVWUNUDMXNQJD-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

274.2045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.211776 169.1
[M+Na]+ 297.193718 175.4
[M-H]- 273.197224 172.3
[M+NH4]+ 292.238323 186.9
[M+K]+ 313.167658 172.6
[M+H-H2O]+ 257.201760 161.7
[M+HCOO]- 319.202701 189.9
[M+CH3COO]- 333.218351 206.8
[M+Na-2H]- 295.179166 169.9
[M]+ 274.20395142 172.9
[M]- 274.20504858 172.9
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