CID 135801097

171853-11-5

Structural Information

Molecular Formula

C₂₁H₂₀N₄O₃

SMILES

COC1=C(C=C(C=C1)CN=C(/C(=C\C2=C(C3=CC=CC=C3N2)O)/C#N)N)OC

InChI

InChI=1S/C21H20N4O3/c1-27-18-8-7-13(9-19(18)28-2)12-24-21(23)14(11-22)10-17-20(26)15-5-3-4-6-16(15)25-17/h3-10,25-26H,12H2,1-2H3,(H2,23,24)/b14-10-

InChIKey

RHRPWCYJCVDQIX-UVTDQMKNSA-N

Compound name

(Z)-2-cyano-N'-[(3,4-dimethoxyphenyl)methyl]-3-(3-hydroxy-1H-indol-2-yl)prop-2-enimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 376.15353 Da
Monoisotopic Mass: 2.7
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]+	377.160806	197.8
[M+Na]+	399.142748	206.5
[M-H]-	375.146254	200.8
[M+NH4]+	394.187353	207.9
[M+K]+	415.116688	199.1
[M+H-H2O]+	359.150790	182.2
[M+HCOO]-	421.151731	215.0
[M+CH3COO]-	435.167381	229.2
[M+Na-2H]-	397.128196	196.9
[M]+	376.15298142	193.5
[M]-	376.15407858	193.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.