CID 9570562

Carbonimidic dihydrazide, bis(2-(hexahydro-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl)-1-methylethylidene)-

Structural Information

Molecular Formula
C21H27N9O6
SMILES
C/C(=N\N/C(=N/N=C(\C)/CC1(C(=O)NC(=O)NC1=O)CC=C)/N)/CC2(C(=O)NC(=O)NC2=O)CC=C
InChI
InChI=1S/C21H27N9O6/c1-5-7-20(13(31)23-18(35)24-14(20)32)9-11(3)27-29-17(22)30-28-12(4)10-21(8-6-2)15(33)25-19(36)26-16(21)34/h5-6H,1-2,7-10H2,3-4H3,(H3,22,29,30)(H2,23,24,31,32,35)(H2,25,26,33,34,36)/b27-11+,28-12+
InChIKey
RYTRCCAJIGDJOI-NXMZODBASA-N
Compound name
1,2-bis[(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

501.20844 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.21572 209.3
[M+Na]+ 524.19766 211.4
[M-H]- 500.20116 208.1
[M+NH4]+ 519.24226 211.9
[M+K]+ 540.17160 207.4
[M+H-H2O]+ 484.20570 201.8
[M+HCOO]- 546.20664 220.8
[M+CH3COO]- 560.22229 253.7
[M+Na-2H]- 522.18311 208.1
[M]+ 501.20789 200.9
[M]- 501.20899 200.9
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.