CID 5359911

U-10293

Structural Information

Molecular Formula
C26H16Cl2N2
SMILES
C1=CC=C(C=C1)/C/2=C\3/C(=N/C(=C/4\C(=N2)C=CC(=C4)Cl)/C5=CC=CC=C5)C=CC(=C3)Cl
InChI
InChI=1S/C26H16Cl2N2/c27-19-11-13-23-21(15-19)25(17-7-3-1-4-8-17)29-24-14-12-20(28)16-22(24)26(30-23)18-9-5-2-6-10-18/h1-16H/b25-21-,26-22-,29-24?,29-25?,30-23?,30-26?
InChIKey
MQGFJTPZIBDFDR-RTIIMSNMSA-N
Compound name
(6Z,12Z)-2,8-dichloro-6,12-diphenylbenzo[c][1,5]benzodiazocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.06906 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.07634 186.5
[M+Na]+ 449.05828 193.9
[M+NH4]+ 444.10288 189.6
[M+K]+ 465.03222 189.2
[M-H]- 425.06178 189.3
[M+Na-2H]- 447.04373 190.4
[M]+ 426.06851 188.7
[M]- 426.06961 188.7
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.