CID 135409202

Nsc666167

Structural Information

Molecular Formula
C23H16BrN5O
SMILES
C1C(=NN=C2N1NC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)N2)C6=CC=C(C=C6)Br
InChI
InChI=1S/C23H16BrN5O/c24-15-11-9-14(10-12-15)20-13-29-22(27-26-20)25-21(30)23(28-29)18-7-3-1-5-16(18)17-6-2-4-8-19(17)23/h1-12,28H,13H2,(H,25,27,30)
InChIKey
WSEHWGRLZMPEOM-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)spiro[6,9-dihydro-4H-[1,2,4]triazino[4,3-b][1,2,4]triazine-7,9'-fluorene]-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.05383 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.06111 203.1
[M+Na]+ 480.04305 214.6
[M-H]- 456.04655 208.1
[M+NH4]+ 475.08765 214.0
[M+K]+ 496.01699 199.2
[M+H-H2O]+ 440.05109 198.1
[M+HCOO]- 502.05203 210.1
[M+CH3COO]- 516.06768 211.3
[M+Na-2H]- 478.02850 207.9
[M]+ 457.05328 216.4
[M]- 457.05438 216.4
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.