CID 6482087

1-[4-(3-nitrosoimidazo[1,2-a]pyrimidin-2-yl)phenyl]ethanone

Structural Information

Molecular Formula
C14H10N4O2
SMILES
CC(=O)C1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)N=O
InChI
InChI=1S/C14H10N4O2/c1-9(19)10-3-5-11(6-4-10)12-13(17-20)18-8-2-7-15-14(18)16-12/h2-8H,1H3
InChIKey
PCHPRMNQVUPCJQ-UHFFFAOYSA-N
Compound name
1-[4-(3-nitrosoimidazo[1,2-a]pyrimidin-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.08038 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08766 157.6
[M+Na]+ 289.06960 168.9
[M-H]- 265.07310 163.9
[M+NH4]+ 284.11420 173.2
[M+K]+ 305.04354 164.8
[M+H-H2O]+ 249.07764 147.8
[M+HCOO]- 311.07858 182.2
[M+CH3COO]- 325.09423 170.8
[M+Na-2H]- 287.05505 164.6
[M]+ 266.07983 162.2
[M]- 266.08093 162.2
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.