CID 76735

3247-56-1

Structural Information

Molecular Formula
C8H10N6O3
SMILES
CC(=O)NC1=C(C(=NC(=N1)N)NC(=O)C)N=O
InChI
InChI=1S/C8H10N6O3/c1-3(15)10-6-5(14-17)7(11-4(2)16)13-8(9)12-6/h1-2H3,(H4,9,10,11,12,13,15,16)
InChIKey
KOMRBHKFIBWHEN-UHFFFAOYSA-N
Compound name
N-(6-acetamido-2-amino-5-nitrosopyrimidin-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.08144 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08872 150.2
[M+Na]+ 261.07066 158.0
[M+NH4]+ 256.11526 154.1
[M+K]+ 277.04460 156.0
[M-H]- 237.07416 150.6
[M+Na-2H]- 259.05611 153.9
[M]+ 238.08089 150.6
[M]- 238.08199 150.6
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