CID 3009347

(4ar,6r,7as)-6-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-hexahydro-furo[3,2-d]pyrimidin-2-ylidene-cyanamide

Structural Information

Molecular Formula
C12H14N6O3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]3[C@H](O2)CN=C(N3)NC#N
InChI
InChI=1S/C12H14N6O3/c1-6-4-18(12(20)17-10(6)19)9-2-7-8(21-9)3-14-11(16-7)15-5-13/h4,7-9H,2-3H2,1H3,(H2,14,15,16)(H,17,19,20)/t7-,8+,9+/m0/s1
InChIKey
UTHFJVJINAJVJH-DJLDLDEBSA-N
Compound name
[(4aR,6R,7aS)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-1,4,4a,6,7,7a-hexahydrofuro[3,2-d]pyrimidin-2-yl]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.11273 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12001 163.4
[M+Na]+ 313.10195 173.3
[M-H]- 289.10545 162.2
[M+NH4]+ 308.14655 171.7
[M+K]+ 329.07589 167.8
[M+H-H2O]+ 273.10999 147.1
[M+HCOO]- 335.11093 173.8
[M+CH3COO]- 349.12658 171.1
[M+Na-2H]- 311.08740 165.5
[M]+ 290.11218 154.7
[M]- 290.11328 154.7
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.