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 187.7
[M+Na]+ 355.11654 196.8
[M-H]- 331.12004 190.7
[M+NH4]+ 350.16114 199.3
[M+K]+ 371.09048 188.8
[M+H-H2O]+ 315.12458 172.4
[M+HCOO]- 377.12552 205.5
[M+CH3COO]- 391.14117 220.8
[M+Na-2H]- 353.10199 188.2
[M]+ 332.12677 181.3
[M]- 332.12787 181.3
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.