CID 135801051

2-(2-cyano-3-amino-3-(4-methoxyphenylamino)prop-2-enylidene)indolin-3-one

Structural Information

Molecular Formula
C19H16N4O2
SMILES
COC1=CC=C(C=C1)N=C(/C(=C\C2=C(C3=CC=CC=C3N2)O)/C#N)N
InChI
InChI=1S/C19H16N4O2/c1-25-14-8-6-13(7-9-14)22-19(21)12(11-20)10-17-18(24)15-4-2-3-5-16(15)23-17/h2-10,23-24H,1H3,(H2,21,22)/b12-10-
InChIKey
QOUJCXIHZZFVFB-BENRWUELSA-N
Compound name
(Z)-2-cyano-3-(3-hydroxy-1H-indol-2-yl)-N'-(4-methoxyphenyl)prop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12732 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13460 183.7
[M+Na]+ 355.11654 194.4
[M+NH4]+ 350.16114 186.3
[M+K]+ 371.09048 186.4
[M-H]- 331.12004 179.3
[M+Na-2H]- 353.10199 186.3
[M]+ 332.12677 182.9
[M]- 332.12787 182.9
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.