CID 136219909

352457-33-1

Structural Information

Molecular Formula
C8H10ClN5O
SMILES
CC1=NC(=C(C(=O)N1)NC2=NCCN2)Cl
InChI
InChI=1S/C8H10ClN5O/c1-4-12-6(9)5(7(15)13-4)14-8-10-2-3-11-8/h2-3H2,1H3,(H2,10,11,14)(H,12,13,15)
InChIKey
DPGWPFBOPWMOBR-UHFFFAOYSA-N
Compound name
4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05739 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06467 148.3
[M+Na]+ 250.04661 158.4
[M-H]- 226.05011 147.7
[M+NH4]+ 245.09121 162.2
[M+K]+ 266.02055 152.1
[M+H-H2O]+ 210.05465 139.7
[M+HCOO]- 272.05559 162.3
[M+CH3COO]- 286.07124 159.2
[M+Na-2H]- 248.03206 152.4
[M]+ 227.05684 145.8
[M]- 227.05794 145.8
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.