CID 135416215

2-n-anilino-4-hydroxy-6-methylpyrimidine

Structural Information

Molecular Formula
C11H11N3O
SMILES
CC1=CC(=O)NC(=N1)NC2=CC=CC=C2
InChI
InChI=1S/C11H11N3O/c1-8-7-10(15)14-11(12-8)13-9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14,15)
InChIKey
ZQASUEBEKLHMME-UHFFFAOYSA-N
Compound name
2-anilino-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

201.09021 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 142.4
[M+Na]+ 224.07943 151.3
[M-H]- 200.08293 145.7
[M+NH4]+ 219.12403 157.9
[M+K]+ 240.05337 146.5
[M+H-H2O]+ 184.08747 134.1
[M+HCOO]- 246.08841 165.1
[M+CH3COO]- 260.10406 184.3
[M+Na-2H]- 222.06488 150.8
[M]+ 201.08966 140.4
[M]- 201.09076 140.4
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