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]+ 310.114606 165.4
[M+Na]+ 332.096548 172.3
[M-H]- 308.100054 169.4
[M+NH4]+ 327.141153 178.1
[M+K]+ 348.070488 172.0
[M+H-H2O]+ 292.104590 157.3
[M+HCOO]- 354.105531 187.5
[M+CH3COO]- 368.121181 219.1
[M+Na-2H]- 330.081996 165.1
[M]+ 309.10678142 166.8
[M]- 309.10787858 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.