CID 3070105

Brn 5054773

Structural Information

Molecular Formula
C10H14Br2ClN3O
SMILES
CC1=NC(=C(C(=N1)Cl)CC(CBr)Br)NCCO
InChI
InChI=1S/C10H14Br2ClN3O/c1-6-15-9(13)8(4-7(12)5-11)10(16-6)14-2-3-17/h7,17H,2-5H2,1H3,(H,14,15,16)
InChIKey
CSTQNFUDUSOIRH-UHFFFAOYSA-N
Compound name
2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.91922 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.92650 154.9
[M+Na]+ 407.90844 165.7
[M-H]- 383.91194 158.4
[M+NH4]+ 402.95304 169.6
[M+K]+ 423.88238 147.4
[M+H-H2O]+ 367.91648 161.5
[M+HCOO]- 429.91742 164.5
[M+CH3COO]- 443.93307 215.5
[M+Na-2H]- 405.89389 160.1
[M]+ 384.91867 190.4
[M]- 384.91977 190.4
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.