CID 15055390

6-bromopyrimidine-2,4-diamine

Structural Information

Molecular Formula
C4H5BrN4
SMILES
C1=C(N=C(N=C1Br)N)N
InChI
InChI=1S/C4H5BrN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
InChIKey
ULSYPLOIMKLSCA-UHFFFAOYSA-N
Compound name
6-bromopyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

187.96976 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.97704 126.7
[M+Na]+ 210.95898 139.2
[M-H]- 186.96248 130.2
[M+NH4]+ 206.00358 146.6
[M+K]+ 226.93292 127.7
[M+H-H2O]+ 170.96702 125.1
[M+HCOO]- 232.96796 148.5
[M+CH3COO]- 246.98361 182.9
[M+Na-2H]- 208.94443 135.7
[M]+ 187.96921 141.7
[M]- 187.97031 141.7
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