CID 135521756

2-(2-cyano-3,3-diaminoprop-2-enylidene)indolin-3-one

Structural Information

Molecular Formula
C12H10N4O
SMILES
C1=CC=C2C(=C1)C(=C(N2)/C=C(\C#N)/C(=N)N)O
InChI
InChI=1S/C12H10N4O/c13-6-7(12(14)15)5-10-11(17)8-3-1-2-4-9(8)16-10/h1-5,16-17H,(H3,14,15)/b7-5+
InChIKey
XVUZRQZDWZZXSO-FNORWQNLSA-N
Compound name
(Z)-2-cyano-3-(3-hydroxy-1H-indol-2-yl)prop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.08546 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09274 159.4
[M+Na]+ 249.07468 168.8
[M-H]- 225.07818 159.2
[M+NH4]+ 244.11928 174.6
[M+K]+ 265.04862 162.4
[M+H-H2O]+ 209.08272 146.0
[M+HCOO]- 271.08366 176.7
[M+CH3COO]- 285.09931 201.1
[M+Na-2H]- 247.06013 161.4
[M]+ 226.08491 150.0
[M]- 226.08601 150.0
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.