CID 309343

N4-benzoylcytosine

Structural Information

Molecular Formula
C11H9N3O2
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=NC(=O)N2
InChI
InChI=1S/C11H9N3O2/c15-10(8-4-2-1-3-5-8)13-9-6-7-12-11(16)14-9/h1-7H,(H2,12,13,14,15,16)
InChIKey
XBDUZBHKKUFFRH-UHFFFAOYSA-N
Compound name
N-(2-oxo-1H-pyrimidin-6-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

3371
Patents

215.06947 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.07675 144.6
[M+Na]+ 238.05869 152.4
[M-H]- 214.06219 147.6
[M+NH4]+ 233.10329 159.0
[M+K]+ 254.03263 148.1
[M+H-H2O]+ 198.06673 135.9
[M+HCOO]- 260.06767 166.7
[M+CH3COO]- 274.08332 184.7
[M+Na-2H]- 236.04414 152.5
[M]+ 215.06892 142.2
[M]- 215.07002 142.2
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