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]+ 283.180496 168.7
[M+Na]+ 305.162438 176.5
[M-H]- 281.165944 172.0
[M+NH4]+ 300.207043 184.2
[M+K]+ 321.136378 170.0
[M+H-H2O]+ 265.170480 159.9
[M+HCOO]- 327.171421 187.1
[M+CH3COO]- 341.187071 179.3
[M+Na-2H]- 303.147886 171.1
[M]+ 282.17267142 168.2
[M]- 282.17376858 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.