CID 5467027

Nsc646967

Structural Information

Molecular Formula
C18H22N2O
SMILES
C/C=C\1/CN(CC(=C1)OC)CCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H22N2O/c1-3-14-10-16(21-2)13-20(12-14)9-8-15-11-19-18-7-5-4-6-17(15)18/h3-7,10-11,19H,8-9,12-13H2,1-2H3/b14-3+
InChIKey
JDKRTNPJAGESMP-LZWSPWQCSA-N
Compound name
3-[2-[(3E)-3-ethylidene-5-methoxy-2,6-dihydropyridin-1-yl]ethyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 168.7
[M+Na]+ 305.16244 176.5
[M-H]- 281.16594 172.0
[M+NH4]+ 300.20704 184.2
[M+K]+ 321.13638 170.0
[M+H-H2O]+ 265.17048 159.9
[M+HCOO]- 327.17142 187.1
[M+CH3COO]- 341.18707 179.3
[M+Na-2H]- 303.14789 171.1
[M]+ 282.17267 168.2
[M]- 282.17377 168.2
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.