CID 372783

Nsc648407

Structural Information

Molecular Formula
C16H18N2O
SMILES
C1CN(CC(=C1)C=O)CCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H18N2O/c19-12-13-4-3-8-18(11-13)9-7-14-10-17-16-6-2-1-5-15(14)16/h1-2,4-6,10,12,17H,3,7-9,11H2
InChIKey
QAYBKWJRBLLGEK-UHFFFAOYSA-N
Compound name
1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 158.9
[M+Na]+ 277.13112 166.7
[M-H]- 253.13462 162.2
[M+NH4]+ 272.17572 175.2
[M+K]+ 293.10506 160.6
[M+H-H2O]+ 237.13916 150.2
[M+HCOO]- 299.14010 178.0
[M+CH3COO]- 313.15575 170.1
[M+Na-2H]- 275.11657 163.2
[M]+ 254.14135 157.4
[M]- 254.14245 157.4
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.