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]+ 331.15535 188.8
[M+Na]+ 353.13729 196.9
[M-H]- 329.14079 191.2
[M+NH4]+ 348.18189 200.3
[M+K]+ 369.11123 187.9
[M+H-H2O]+ 313.14533 173.2
[M+HCOO]- 375.14627 206.1
[M+CH3COO]- 389.16192 196.1
[M+Na-2H]- 351.12274 189.4
[M]+ 330.14752 181.1
[M]- 330.14862 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.