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]+ 331.15535 190.5
[M+Na]+ 353.13729 198.3
[M-H]- 329.14079 193.0
[M+NH4]+ 348.18189 201.9
[M+K]+ 369.11123 189.8
[M+H-H2O]+ 313.14533 175.1
[M+HCOO]- 375.14627 206.8
[M+CH3COO]- 389.16192 197.6
[M+Na-2H]- 351.12274 189.9
[M]+ 330.14752 182.2
[M]- 330.14862 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.