CID 135570657

171853-10-4

Structural Information

Molecular Formula
C20H18N4O2
SMILES
COC1=CC=C(C=C1)CN=C(/C(=C\C2=C(C3=CC=CC=C3N2)O)/C#N)N
InChI
InChI=1S/C20H18N4O2/c1-26-15-8-6-13(7-9-15)12-23-20(22)14(11-21)10-18-19(25)16-4-2-3-5-17(16)24-18/h2-10,24-25H,12H2,1H3,(H2,22,23)/b14-10-
InChIKey
CFYARZBDCCATCC-UVTDQMKNSA-N
Compound name
(Z)-2-cyano-3-(3-hydroxy-1H-indol-2-yl)-N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.14297 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15025 191.5
[M+Na]+ 369.13219 200.2
[M-H]- 345.13569 194.3
[M+NH4]+ 364.17679 202.6
[M+K]+ 385.10613 192.0
[M+H-H2O]+ 329.14023 176.0
[M+HCOO]- 391.14117 208.9
[M+CH3COO]- 405.15682 223.4
[M+Na-2H]- 367.11764 191.6
[M]+ 346.14242 185.4
[M]- 346.14352 185.4
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.