CID 135801518

171853-14-8

Structural Information

Molecular Formula
C22H22N4O3
SMILES
COC1=C(C=C(C=C1)CCN=C(/C(=C\C2=C(C3=CC=CC=C3N2)O)/C#N)N)OC
InChI
InChI=1S/C22H22N4O3/c1-28-19-8-7-14(11-20(19)29-2)9-10-25-22(24)15(13-23)12-18-21(27)16-5-3-4-6-17(16)26-18/h3-8,11-12,26-27H,9-10H2,1-2H3,(H2,24,25)/b15-12-
InChIKey
ZAQZAOLYPWZUFH-QINSGFPZSA-N
Compound name
(Z)-2-cyano-N'-[2-(3,4-dimethoxyphenyl)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

390.1692 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.17648 201.6
[M+Na]+ 413.15842 209.8
[M-H]- 389.16192 204.4
[M+NH4]+ 408.20302 211.1
[M+K]+ 429.13236 202.3
[M+H-H2O]+ 373.16646 185.8
[M+HCOO]- 435.16740 218.5
[M+CH3COO]- 449.18305 231.9
[M+Na-2H]- 411.14387 200.2
[M]+ 390.16865 197.6
[M]- 390.16975 197.6
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.