CID 4188941

34618-60-5

Structural Information

Molecular Formula
C20H16Cl2N2O2
SMILES
CC1=CC(=CC=C1)NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C)Cl
InChI
InChI=1S/C20H16Cl2N2O2/c1-11-5-3-7-13(9-11)23-17-15(21)20(26)18(16(22)19(17)25)24-14-8-4-6-12(2)10-14/h3-10,23-24H,1-2H3
InChIKey
USMIDWWCETVGQQ-UHFFFAOYSA-N
Compound name
2,5-dichloro-3,6-bis(3-methylanilino)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.05887 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.06615 190.4
[M+Na]+ 409.04809 200.9
[M-H]- 385.05159 200.1
[M+NH4]+ 404.09269 203.4
[M+K]+ 425.02203 192.9
[M+H-H2O]+ 369.05613 182.8
[M+HCOO]- 431.05707 205.6
[M+CH3COO]- 445.07272 224.8
[M+Na-2H]- 407.03354 191.0
[M]+ 386.05832 194.4
[M]- 386.05942 194.4
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.