CID 135449835

2-amino-5-methyl-6-phenyl-4-pyrimidinol

Structural Information

Molecular Formula
C11H11N3O
SMILES
CC1=C(N=C(NC1=O)N)C2=CC=CC=C2
InChI
InChI=1S/C11H11N3O/c1-7-9(8-5-3-2-4-6-8)13-11(12)14-10(7)15/h2-6H,1H3,(H3,12,13,14,15)
InChIKey
RTJLTGPOGBPZFC-UHFFFAOYSA-N
Compound name
2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

201.09021 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 143.4
[M+Na]+ 224.07943 153.3
[M-H]- 200.08293 146.6
[M+NH4]+ 219.12403 159.0
[M+K]+ 240.05337 148.2
[M+H-H2O]+ 184.08747 135.4
[M+HCOO]- 246.08841 165.5
[M+CH3COO]- 260.10406 184.9
[M+Na-2H]- 222.06488 149.9
[M]+ 201.08966 140.9
[M]- 201.09076 140.9
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