CID 248921

91211-34-6

Structural Information

Molecular Formula
C10H8Br2N6O
SMILES
C1=CC(=C(C=C1NC2=NC(=NC(=C2N=O)N)N)Br)Br
InChI
InChI=1S/C10H8Br2N6O/c11-5-2-1-4(3-6(5)12)15-9-7(18-19)8(13)16-10(14)17-9/h1-3H,(H5,13,14,15,16,17)
InChIKey
QUAYEGFIVVYSFW-UHFFFAOYSA-N
Compound name
4-N-(3,4-dibromophenyl)-5-nitrosopyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.91263 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.91991 153.0
[M+Na]+ 408.90185 162.8
[M-H]- 384.90535 160.5
[M+NH4]+ 403.94645 166.0
[M+K]+ 424.87579 145.6
[M+H-H2O]+ 368.90989 155.8
[M+HCOO]- 430.91083 171.2
[M+CH3COO]- 444.92648 224.7
[M+Na-2H]- 406.88730 159.9
[M]+ 385.91208 184.8
[M]- 385.91318 184.8
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.