CID 129626834

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

Structural Information

Molecular Formula
C11H15N7O5
SMILES
C/C(=N\N=C(/N)\N[N+](=O)[O-])/CC1(C(=O)NC(=O)NC1=O)CC=C
InChI
InChI=1S/C11H15N7O5/c1-3-4-11(7(19)13-10(21)14-8(11)20)5-6(2)15-16-9(12)17-18(22)23/h3H,1,4-5H2,2H3,(H3,12,16,17)(H2,13,14,19,20,21)/b15-6+
InChIKey
MYXKGEMNTGKSIC-GIDUJCDVSA-N
Compound name
1-nitro-2-[(E)-1-(2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-5-yl)propan-2-ylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.11346 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12074 163.6
[M+Na]+ 348.10268 166.9
[M-H]- 324.10618 163.8
[M+NH4]+ 343.14728 174.2
[M+K]+ 364.07662 160.7
[M+H-H2O]+ 308.11072 160.8
[M+HCOO]- 370.11166 184.9
[M+CH3COO]- 384.12731 208.4
[M+Na-2H]- 346.08813 168.9
[M]+ 325.11291 155.6
[M]- 325.11401 155.6
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.