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

13
Patents

187.96976 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.977036 126.7
[M+Na]+ 210.958978 139.2
[M-H]- 186.962484 130.2
[M+NH4]+ 206.003583 146.6
[M+K]+ 226.932918 127.7
[M+H-H2O]+ 170.967020 125.1
[M+HCOO]- 232.967961 148.5
[M+CH3COO]- 246.983611 182.9
[M+Na-2H]- 208.944426 135.7
[M]+ 187.96921142 141.7
[M]- 187.97030858 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