CID 135959509

1,2,3,4-tetrahydro-1,3-dimethyl-5-nitroso-6-(2,2-diacetylvinyl)hydrazinopyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H15N5O5
SMILES
C/C(=C(\C=N\N=C\1/C(C(=O)N(C(=O)N1C)C)N=O)/C(=O)C)/O
InChI
InChI=1S/C12H15N5O5/c1-6(18)8(7(2)19)5-13-14-10-9(15-22)11(20)17(4)12(21)16(10)3/h5,9,18H,1-4H3/b8-6-,13-5+,14-10+
InChIKey
LBTJHRMZWNUCLH-OOQXDQRYSA-N
Compound name
(6E)-6-[(E)-[(Z)-2-acetyl-3-hydroxybut-2-enylidene]hydrazinylidene]-1,3-dimethyl-5-nitroso-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.10733 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11461 165.4
[M+Na]+ 332.09655 172.3
[M-H]- 308.10005 169.4
[M+NH4]+ 327.14115 178.1
[M+K]+ 348.07049 172.0
[M+H-H2O]+ 292.10459 157.3
[M+HCOO]- 354.10553 187.5
[M+CH3COO]- 368.12118 219.1
[M+Na-2H]- 330.08200 165.1
[M]+ 309.10678 166.8
[M]- 309.10788 166.8
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.