CID 135801523

171853-04-6

Structural Information

Molecular Formula

C₁₈H₂₃N₅O

SMILES

CCN(CC)CCN=C(/C(=C\C1=C(C2=CC=CC=C2N1)O)/C#N)N

InChI

InChI=1S/C18H23N5O/c1-3-23(4-2)10-9-21-18(20)13(12-19)11-16-17(24)14-7-5-6-8-15(14)22-16/h5-8,11,22,24H,3-4,9-10H2,1-2H3,(H2,20,21)/b13-11-

InChIKey

QSDBAICXMRZITI-QBFSEMIESA-N

Compound name

(Z)-2-cyano-N'-[2-(diethylamino)ethyl]-3-(3-hydroxy-1H-indol-2-yl)prop-2-enimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.19025 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	326.197526	186.1
[M+Na]+	348.179468	192.5
[M-H]-	324.182974	187.2
[M+NH4]+	343.224073	198.5
[M+K]+	364.153408	187.2
[M+H-H2O]+	308.187510	170.8
[M+HCOO]-	370.188451	204.2
[M+CH3COO]-	384.204101	226.3
[M+Na-2H]-	346.164916	185.5
[M]+	325.18970142	180.4
[M]-	325.19079858	180.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.