CID 55044

83540-28-7

Structural Information

Molecular Formula
C15H23N5O4
SMILES
C=CCOCC1COC2(O1)CCN(CC2)C3=NC(=N)N(C(=C3)N)O
InChI
InChI=1S/C15H23N5O4/c1-2-7-22-9-11-10-23-15(24-11)3-5-19(6-4-15)13-8-12(16)20(21)14(17)18-13/h2,8,11,17,21H,1,3-7,9-10,16H2
InChIKey
YHAPSXCNPRCEGM-UHFFFAOYSA-N
Compound name
3-hydroxy-2-imino-6-[3-(prop-2-enoxymethyl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17502 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18230 179.3
[M+Na]+ 360.16424 185.1
[M-H]- 336.16774 183.4
[M+NH4]+ 355.20884 188.5
[M+K]+ 376.13818 182.7
[M+H-H2O]+ 320.17228 169.8
[M+HCOO]- 382.17322 193.3
[M+CH3COO]- 396.18887 210.6
[M+Na-2H]- 358.14969 181.4
[M]+ 337.17447 175.6
[M]- 337.17557 175.6
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.