CID 368260

Nsc638715

Structural Information

Molecular Formula
C24H17BrN6O2
SMILES
CC1=C(C(=O)N(C(=O)N1C2=NC3=CC=CC=C3N2)C4=CC=CC=C4)N=NC5=CC=C(C=C5)Br
InChI
InChI=1S/C24H17BrN6O2/c1-15-21(29-28-17-13-11-16(25)12-14-17)22(32)31(18-7-3-2-4-8-18)24(33)30(15)23-26-19-9-5-6-10-20(19)27-23/h2-14H,1H3,(H,26,27)
InChIKey
CBPNNDYCPMRLSG-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)-5-[(4-bromophenyl)diazenyl]-6-methyl-3-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.05963 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.06691 208.7
[M+Na]+ 523.04885 221.9
[M-H]- 499.05235 222.0
[M+NH4]+ 518.09345 216.7
[M+K]+ 539.02279 207.4
[M+H-H2O]+ 483.05689 202.5
[M+HCOO]- 545.05783 229.6
[M+CH3COO]- 559.07348 219.7
[M+Na-2H]- 521.03430 214.2
[M]+ 500.05908 230.1
[M]- 500.06018 230.1
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.