CID 135480637

Chembl55411

Structural Information

Molecular Formula
C11H10ClN3O2
SMILES
COC1=CC=CC(=C1)C2=C(C(=O)NC(=N2)N)Cl
InChI
InChI=1S/C11H10ClN3O2/c1-17-7-4-2-3-6(5-7)9-8(12)10(16)15-11(13)14-9/h2-5H,1H3,(H3,13,14,15,16)
InChIKey
RFNDUVABMSOPRX-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

251.04616 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05344 152.4
[M+Na]+ 274.03538 163.7
[M-H]- 250.03888 155.7
[M+NH4]+ 269.07998 167.0
[M+K]+ 290.00932 157.6
[M+H-H2O]+ 234.04342 144.9
[M+HCOO]- 296.04436 170.0
[M+CH3COO]- 310.06001 192.1
[M+Na-2H]- 272.02083 157.6
[M]+ 251.04561 153.7
[M]- 251.04671 153.7
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