CID 242416

71552-25-5

Structural Information

Molecular Formula
C10H10N6O2
SMILES
C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)O
InChI
InChI=1S/C10H10N6O2/c11-8-7(16-18)9(15-10(12)14-8)13-5-1-3-6(17)4-2-5/h1-4,17H,(H5,11,12,13,14,15)
InChIKey
BGWUJSKRJRJTAR-UHFFFAOYSA-N
Compound name
4-[(2,6-diamino-5-nitrosopyrimidin-4-yl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.08652 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09380 151.9
[M+Na]+ 269.07574 160.7
[M-H]- 245.07924 156.5
[M+NH4]+ 264.12034 165.1
[M+K]+ 285.04968 157.1
[M+H-H2O]+ 229.08378 142.5
[M+HCOO]- 291.08472 178.4
[M+CH3COO]- 305.10037 203.2
[M+Na-2H]- 267.06119 159.2
[M]+ 246.08597 149.6
[M]- 246.08707 149.6
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

No patent data available for this compound.