CID 9570363

Hydrazone of 5-allyl-5-acetonylbarbituric acid

Structural Information

Molecular Formula
C10H14N4O3
SMILES
C/C(=N\N)/CC1(C(=O)NC(=O)NC1=O)CC=C
InChI
InChI=1S/C10H14N4O3/c1-3-4-10(5-6(2)14-11)7(15)12-9(17)13-8(10)16/h3H,1,4-5,11H2,2H3,(H2,12,13,15,16,17)/b14-6+
InChIKey
LTOOLXACPYHGBR-MKMNVTDBSA-N
Compound name
5-[(2E)-2-hydrazinylidenepropyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.1066 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11388 153.7
[M+Na]+ 261.09582 160.3
[M+NH4]+ 256.14042 158.4
[M+K]+ 277.06976 155.5
[M-H]- 237.09932 151.5
[M+Na-2H]- 259.08127 155.5
[M]+ 238.10605 153.3
[M]- 238.10715 153.3
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.