CID 135524502

169944-39-2

Structural Information

Molecular Formula
C17H18N4O
SMILES
C1CCN(CC1)C(=N)/C(=C/C2=C(C3=CC=CC=C3N2)O)/C#N
InChI
InChI=1S/C17H18N4O/c18-11-12(17(19)21-8-4-1-5-9-21)10-15-16(22)13-6-2-3-7-14(13)20-15/h2-3,6-7,10,19-20,22H,1,4-5,8-9H2/b12-10+,19-17?
InChIKey
BJFFDQZCZZGMPU-CUYZKFRNSA-N
Compound name
(E)-3-(3-hydroxy-1H-indol-2-yl)-2-(piperidine-1-carboximidoyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14807 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 174.9
[M+Na]+ 317.13729 181.9
[M-H]- 293.14079 175.0
[M+NH4]+ 312.18189 186.3
[M+K]+ 333.11123 173.3
[M+H-H2O]+ 277.14533 159.6
[M+HCOO]- 339.14627 186.5
[M+CH3COO]- 353.16192 181.7
[M+Na-2H]- 315.12274 174.8
[M]+ 294.14752 162.9
[M]- 294.14862 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.