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]+ 255.12404 167.5
[M+Na]+ 277.10598 176.2
[M-H]- 253.10948 168.7
[M+NH4]+ 272.15058 182.6
[M+K]+ 293.07992 170.8
[M+H-H2O]+ 237.11402 153.5
[M+HCOO]- 299.11496 185.2
[M+CH3COO]- 313.13061 209.2
[M+Na-2H]- 275.09143 168.8
[M]+ 254.11621 160.5
[M]- 254.11731 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.