CID 9588982

5r4mcy8y46

Structural Information

Molecular Formula
C13H13ClN4O2
SMILES
CCOC(=O)/C(=C(\NC1=CC=C(C=C1)Cl)/N=C/N)/C#N
InChI
InChI=1S/C13H13ClN4O2/c1-2-20-13(19)11(7-15)12(17-8-16)18-10-5-3-9(14)4-6-10/h3-6,8,18H,2H2,1H3,(H2,16,17)/b12-11-
InChIKey
BEJNNDMIBWPYFC-QXMHVHEDSA-N
Compound name
ethyl (E)-3-[(E)-aminomethylideneamino]-3-(4-chloroanilino)-2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0727 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07998 169.2
[M+Na]+ 315.06192 177.4
[M+NH4]+ 310.10652 171.5
[M+K]+ 331.03586 169.0
[M-H]- 291.06542 163.5
[M+Na-2H]- 313.04737 170.4
[M]+ 292.07215 167.7
[M]- 292.07325 167.7
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.