CID 5747740

Brn 4207573

Structural Information

Molecular Formula
C26H18N2O2
SMILES
C1=CC=C(C=C1)/C/2=C\3/C(=N/C(=C/4\C(=N2)C=CC(=C4)O)/C5=CC=CC=C5)C=CC(=C3)O
InChI
InChI=1S/C26H18N2O2/c29-19-11-13-23-21(15-19)25(17-7-3-1-4-8-17)27-24-14-12-20(30)16-22(24)26(28-23)18-9-5-2-6-10-18/h1-16,29-30H/b25-21-,26-22-,27-24?,27-25?,28-23?,28-26?
InChIKey
POGVQDLDZWXSED-YZHPWRIUSA-N
Compound name
(6Z,12Z)-6,12-diphenylbenzo[c][1,5]benzodiazocine-2,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.13684 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.14412 184.6
[M+Na]+ 413.12606 191.1
[M+NH4]+ 408.17066 187.1
[M+K]+ 429.10000 187.3
[M-H]- 389.12956 186.9
[M+Na-2H]- 411.11151 188.1
[M]+ 390.13629 186.3
[M]- 390.13739 186.3
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.