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 175.3
[M+Na]+ 413.12606 181.5
[M-H]- 389.12956 178.6
[M+NH4]+ 408.17066 179.3
[M+K]+ 429.10000 178.2
[M+H-H2O]+ 373.13410 168.9
[M+HCOO]- 435.13504 183.3
[M+CH3COO]- 449.15069 178.7
[M+Na-2H]- 411.11151 176.5
[M]+ 390.13629 175.9
[M]- 390.13739 175.9
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.