CID 135570658

171853-12-6

Structural Information

Molecular Formula
C20H18N4O
SMILES
CC(C1=CC=CC=C1)N=C(/C(=C\C2=C(C3=CC=CC=C3N2)O)/C#N)N
InChI
InChI=1S/C20H18N4O/c1-13(14-7-3-2-4-8-14)23-20(22)15(12-21)11-18-19(25)16-9-5-6-10-17(16)24-18/h2-11,13,24-25H,1H3,(H2,22,23)/b15-11-
InChIKey
VTWUNRNDFRRNAK-PTNGSMBKSA-N
Compound name
(Z)-2-cyano-3-(3-hydroxy-1H-indol-2-yl)-N'-(1-phenylethyl)prop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.14807 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.155346 190.5
[M+Na]+ 353.137288 198.3
[M-H]- 329.140794 193.0
[M+NH4]+ 348.181893 201.9
[M+K]+ 369.111228 189.8
[M+H-H2O]+ 313.145330 175.1
[M+HCOO]- 375.146271 206.8
[M+CH3COO]- 389.161921 197.6
[M+Na-2H]- 351.122736 189.9
[M]+ 330.14752142 182.2
[M]- 330.14861858 182.2
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.