CID 23423590

5-bromopyrimidine-2,4-diamine

Structural Information

Molecular Formula
C4H5BrN4
SMILES
C1=C(C(=NC(=N1)N)N)Br
InChI
InChI=1S/C4H5BrN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9)
InChIKey
SUHXPSAYNUCJSC-UHFFFAOYSA-N
Compound name
5-bromopyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

187.96976 Da
Monoisotopic Mass

0.2
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

literature stripe

Patent stripe

patents stripe