CID 135596637

18280-58-5

Structural Information

Molecular Formula
C11H11N3O
SMILES
C1=CC=C(C=C1)CC2=NC(=CC(=O)N2)N
InChI
InChI=1S/C11H11N3O/c12-9-7-11(15)14-10(13-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,12,13,14,15)
InChIKey
ZEMLOQIZGNSWCX-UHFFFAOYSA-N
Compound name
4-amino-2-benzyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

201.09021 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.097486 143.0
[M+Na]+ 224.079428 151.9
[M-H]- 200.082934 145.7
[M+NH4]+ 219.124033 158.2
[M+K]+ 240.053368 146.7
[M+H-H2O]+ 184.087470 134.7
[M+HCOO]- 246.088411 165.0
[M+CH3COO]- 260.104061 155.2
[M+Na-2H]- 222.064876 150.3
[M]+ 201.08966142 140.0
[M]- 201.09075858 140.0
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

patents stripe