CID 135521755

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

Structural Information

Molecular Formula
C14H14N4O
SMILES
CN(C)C(=N)/C(=C/C1=C(C2=CC=CC=C2N1)O)/C#N
InChI
InChI=1S/C14H14N4O/c1-18(2)14(16)9(8-15)7-12-13(19)10-5-3-4-6-11(10)17-12/h3-7,16-17,19H,1-2H3/b9-7+,16-14?
InChIKey
FKEUBNBVSHVBML-MNLVSXDGSA-N
Compound name
(E)-2-cyano-3-(3-hydroxy-1H-indol-2-yl)-N,N-dimethylprop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11676 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.124036 167.5
[M+Na]+ 277.105978 176.2
[M-H]- 253.109484 168.7
[M+NH4]+ 272.150583 182.6
[M+K]+ 293.079918 170.8
[M+H-H2O]+ 237.114020 153.5
[M+HCOO]- 299.114961 185.2
[M+CH3COO]- 313.130611 209.2
[M+Na-2H]- 275.091426 168.8
[M]+ 254.11621142 160.5
[M]- 254.11730858 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.