CID 3044842

57790-98-4

Structural Information

Molecular Formula
C18H26N2O
SMILES
CCN1C2=CC=CC=C2C3=C1C(OCC3)(C)CCN(C)C
InChI
InChI=1S/C18H26N2O/c1-5-20-16-9-7-6-8-14(16)15-10-13-21-18(2,17(15)20)11-12-19(3)4/h6-9H,5,10-13H2,1-4H3
InChIKey
JOMIHQGHDOMKJD-UHFFFAOYSA-N
Compound name
2-(9-ethyl-1-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

286.2045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.211776 169.7
[M+Na]+ 309.193718 178.0
[M-H]- 285.197224 175.6
[M+NH4]+ 304.238323 189.6
[M+K]+ 325.167658 175.4
[M+H-H2O]+ 269.201760 162.1
[M+HCOO]- 331.202701 189.6
[M+CH3COO]- 345.218351 209.6
[M+Na-2H]- 307.179166 174.6
[M]+ 286.20395142 174.0
[M]- 286.20504858 174.0
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