CID 135408648

33344-21-7

Structural Information

Molecular Formula
C11H11N5O2
SMILES
CC1=CC=C(C=C1)NC2=C(C(=O)NC(=N2)N)N=O
InChI
InChI=1S/C11H11N5O2/c1-6-2-4-7(5-3-6)13-9-8(16-18)10(17)15-11(12)14-9/h2-5H,1H3,(H4,12,13,14,15,17)
InChIKey
WYINDNYBKUAHRK-UHFFFAOYSA-N
Compound name
2-amino-4-(4-methylanilino)-5-nitroso-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

245.09128 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09856 152.8
[M+Na]+ 268.08050 162.4
[M-H]- 244.08400 157.8
[M+NH4]+ 263.12510 166.7
[M+K]+ 284.05444 158.1
[M+H-H2O]+ 228.08854 143.7
[M+HCOO]- 290.08948 178.8
[M+CH3COO]- 304.10513 200.5
[M+Na-2H]- 266.06595 160.0
[M]+ 245.09073 151.8
[M]- 245.09183 151.8
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

No patent data available for this compound.