CID 129626835

N-(1-methyl-5-allyl-5-propylidenebarbituryl)-nitroaminoguanidine

Structural Information

Molecular Formula
C12H17N7O5
SMILES
C/C(=N\N=C(/N)\N[N+](=O)[O-])/CC1(C(=O)NC(=O)N(C1=O)C)CC=C
InChI
InChI=1S/C12H17N7O5/c1-4-5-12(8(20)14-11(22)18(3)9(12)21)6-7(2)15-16-10(13)17-19(23)24/h4H,1,5-6H2,2-3H3,(H3,13,16,17)(H,14,20,22)/b15-7+
InChIKey
ZDTXNJDANPFCKW-VIZOYTHASA-N
Compound name
2-[(E)-1-(1-methyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]-1-nitroguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12912 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13640 170.5
[M+Na]+ 362.11834 175.0
[M+NH4]+ 357.16294 172.9
[M+K]+ 378.09228 174.7
[M-H]- 338.12184 169.8
[M+Na-2H]- 360.10379 171.2
[M]+ 339.12857 169.8
[M]- 339.12967 169.8
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.