CID 135527156

2-(5,6-dimethyl-2-benzimidazolylamino)-6-methyl-4-pyrimidinol

Structural Information

Molecular Formula
C14H15N5O
SMILES
CC1=CC2=C(C=C1C)N=C(N2)NC3=NC(=CC(=O)N3)C
InChI
InChI=1S/C14H15N5O/c1-7-4-10-11(5-8(7)2)17-14(16-10)19-13-15-9(3)6-12(20)18-13/h4-6H,1-3H3,(H3,15,16,17,18,19,20)
InChIKey
LLHLFAILLUNGLJ-UHFFFAOYSA-N
Compound name
2-[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.12766 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13494 163.4
[M+Na]+ 292.11688 175.6
[M-H]- 268.12038 165.1
[M+NH4]+ 287.16148 176.4
[M+K]+ 308.09082 168.1
[M+H-H2O]+ 252.12492 154.5
[M+HCOO]- 314.12586 182.8
[M+CH3COO]- 328.14151 174.7
[M+Na-2H]- 290.10233 168.6
[M]+ 269.12711 164.0
[M]- 269.12821 164.0
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

No patent data available for this compound.