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]+ 391.176476 201.6
[M+Na]+ 413.158418 209.8
[M-H]- 389.161924 204.4
[M+NH4]+ 408.203023 211.1
[M+K]+ 429.132358 202.3
[M+H-H2O]+ 373.166460 185.8
[M+HCOO]- 435.167401 218.5
[M+CH3COO]- 449.183051 231.9
[M+Na-2H]- 411.143866 200.2
[M]+ 390.16865142 197.6
[M]- 390.16974858 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.