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 182.7
[M+Na]+ 449.05828 189.9
[M-H]- 425.06178 186.3
[M+NH4]+ 444.10288 187.2
[M+K]+ 465.03222 185.6
[M+H-H2O]+ 409.06632 176.0
[M+HCOO]- 471.06726 187.4
[M+CH3COO]- 485.08291 185.9
[M+Na-2H]- 447.04373 182.9
[M]+ 426.06851 185.2
[M]- 426.06961 185.2
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.