CID 215472

35727-98-1

Structural Information

Molecular Formula
C17H10Cl2N4O2
SMILES
COC1=C(C=C(C=C1)NC2=C(C(=C(C(=C2C#N)Cl)C#N)Cl)C#N)OC
InChI
InChI=1S/C17H10Cl2N4O2/c1-24-13-4-3-9(5-14(13)25-2)23-17-11(7-21)15(18)10(6-20)16(19)12(17)8-22/h3-5,23H,1-2H3
InChIKey
JIFDJCNWIJUBKY-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(3,4-dimethoxyanilino)benzene-1,3,5-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.01807 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.02535 179.3
[M+Na]+ 395.00729 189.0
[M-H]- 371.01079 183.6
[M+NH4]+ 390.05189 185.1
[M+K]+ 410.98123 183.8
[M+H-H2O]+ 355.01533 167.4
[M+HCOO]- 417.01627 182.1
[M+CH3COO]- 431.03192 247.1
[M+Na-2H]- 392.99274 176.8
[M]+ 372.01752 174.3
[M]- 372.01862 174.3
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

patents stripe