CID 9570363

Barbituric acid, 5-acetonyl-5-allyl-, 5-hydrazone

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]+ 239.113876 152.3
[M+Na]+ 261.095818 158.9
[M-H]- 237.099324 151.2
[M+NH4]+ 256.140423 167.7
[M+K]+ 277.069758 155.3
[M+H-H2O]+ 221.103860 146.0
[M+HCOO]- 283.104801 170.0
[M+CH3COO]- 297.120451 193.4
[M+Na-2H]- 259.081266 154.5
[M]+ 238.10605142 146.6
[M]- 238.10714858 146.6
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.