CID 1208289

Brn 5633215

Structural Information

Molecular Formula
C21H14Cl2N4O
SMILES
CN(C)/C=C/1\C2=C(C=C(C=C2)C=C(C#N)C#N)N(C1=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C21H14Cl2N4O/c1-26(2)12-16-15-7-6-13(8-14(10-24)11-25)9-19(15)27(21(16)28)20-17(22)4-3-5-18(20)23/h3-9,12H,1-2H3/b16-12+
InChIKey
XYJQSFSZPWCNKF-FOWTUZBSSA-N
Compound name
2-[[(3E)-1-(2,6-dichlorophenyl)-3-(dimethylaminomethylidene)-2-oxoindol-6-yl]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.05447 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.06175 201.9
[M+Na]+ 431.04369 214.2
[M-H]- 407.04719 205.8
[M+NH4]+ 426.08829 211.0
[M+K]+ 447.01763 203.3
[M+H-H2O]+ 391.05173 185.9
[M+HCOO]- 453.05267 206.1
[M+CH3COO]- 467.06832 243.6
[M+Na-2H]- 429.02914 197.3
[M]+ 408.05392 196.4
[M]- 408.05502 196.4
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.