CID 12065944

75438-54-9

Structural Information

Molecular Formula
C10H11Cl2N5O
SMILES
CC1=NC(=C(C(=N1)Cl)NC2=NCCN2C(=O)C)Cl
InChI
InChI=1S/C10H11Cl2N5O/c1-5-14-8(11)7(9(12)15-5)16-10-13-3-4-17(10)6(2)18/h3-4H2,1-2H3,(H,13,16)
InChIKey
UPSZQCBUTUCGAR-UHFFFAOYSA-N
Compound name
1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]-4,5-dihydroimidazol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

287.03406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04134 161.9
[M+Na]+ 310.02328 172.7
[M-H]- 286.02678 163.3
[M+NH4]+ 305.06788 175.3
[M+K]+ 325.99722 167.1
[M+H-H2O]+ 270.03132 152.8
[M+HCOO]- 332.03226 171.9
[M+CH3COO]- 346.04791 199.8
[M+Na-2H]- 308.00873 163.2
[M]+ 287.03351 164.3
[M]- 287.03461 164.3
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