CID 135570660

2-(2-cyano-3-amino-3-(phenylamino)prop-2-enylidene)indolin-3-one

Structural Information

Molecular Formula
C18H14N4O
SMILES
C1=CC=C(C=C1)N=C(/C(=C\C2=C(C3=CC=CC=C3N2)O)/C#N)N
InChI
InChI=1S/C18H14N4O/c19-11-12(18(20)21-13-6-2-1-3-7-13)10-16-17(23)14-8-4-5-9-15(14)22-16/h1-10,22-23H,(H2,20,21)/b12-10-
InChIKey
YBVUZQHSRFJDAZ-BENRWUELSA-N
Compound name
(Z)-2-cyano-3-(3-hydroxy-1H-indol-2-yl)-N'-phenylprop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.11676 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12404 177.8
[M+Na]+ 325.10598 188.8
[M+NH4]+ 320.15058 181.1
[M+K]+ 341.07992 180.2
[M-H]- 301.10948 173.8
[M+Na-2H]- 323.09143 181.1
[M]+ 302.11621 177.2
[M]- 302.11731 177.2
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.