CID 19083250

198142-63-1

Structural Information

Molecular Formula
C23H12Br2N2
SMILES
C1=CC2=C(C3=C(C24C5=C(C=CC(=C5)Br)C6=C4C=C(C=C6)Br)C=CC=N3)N=C1
InChI
InChI=1S/C23H12Br2N2/c24-13-5-7-15-16-8-6-14(25)12-20(16)23(19(15)11-13)17-3-1-9-26-21(17)22-18(23)4-2-10-27-22/h1-12H
InChIKey
XOXOIMPMESDWAQ-UHFFFAOYSA-N
Compound name
2',7'-dibromospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

473.9367 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.94398 192.2
[M+Na]+ 496.92592 205.2
[M-H]- 472.92942 202.5
[M+NH4]+ 491.97052 211.4
[M+K]+ 512.89986 190.8
[M+H-H2O]+ 456.93396 199.9
[M+HCOO]- 518.93490 204.8
[M+CH3COO]- 532.95055 204.2
[M+Na-2H]- 494.91137 196.8
[M]+ 473.93615 227.3
[M]- 473.93725 227.3
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

patents stripe