CID 55042

83540-25-4

Structural Information

Molecular Formula
C11H17N5O3
SMILES
C1CN(CCC12OCCO2)C3=NC(=N)N(C(=C3)N)O
InChI
InChI=1S/C11H17N5O3/c12-8-7-9(14-10(13)16(8)17)15-3-1-11(2-4-15)18-5-6-19-11/h7,13,17H,1-6,12H2
InChIKey
NUZFCTZMZUXYDM-UHFFFAOYSA-N
Compound name
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-hydroxy-2-iminopyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13315 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14043 159.5
[M+Na]+ 290.12237 168.8
[M+NH4]+ 285.16697 166.3
[M+K]+ 306.09631 165.8
[M-H]- 266.12587 164.2
[M+Na-2H]- 288.10782 164.1
[M]+ 267.13260 161.8
[M]- 267.13370 161.8
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.