CID 135801052

171853-13-7

Structural Information

Molecular Formula
C20H18N4O
SMILES
C1=CC=C(C=C1)CCN=C(/C(=C\C2=C(C3=CC=CC=C3N2)O)/C#N)N
InChI
InChI=1S/C20H18N4O/c21-13-15(20(22)23-11-10-14-6-2-1-3-7-14)12-18-19(25)16-8-4-5-9-17(16)24-18/h1-9,12,24-25H,10-11H2,(H2,22,23)/b15-12-
InChIKey
SWCVDJNHKYNLFM-QINSGFPZSA-N
Compound name
(Z)-2-cyano-3-(3-hydroxy-1H-indol-2-yl)-N'-(2-phenylethyl)prop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.14807 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.155346 188.8
[M+Na]+ 353.137288 196.9
[M-H]- 329.140794 191.2
[M+NH4]+ 348.181893 200.3
[M+K]+ 369.111228 187.9
[M+H-H2O]+ 313.145330 173.2
[M+HCOO]- 375.146271 206.1
[M+CH3COO]- 389.161921 196.1
[M+Na-2H]- 351.122736 189.4
[M]+ 330.14752142 181.1
[M]- 330.14861858 181.1
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.