CID 9570563

Carbonimidic dihydrazide, bis(2-(1-cyclohexylhexahydro-2,4,6-trioxo-5-(2-propenyl)-5-pyrimidinyl)-1-methylethylidene)-, (r*,r*)-(+-)-

Structural Information

Molecular Formula
C33H47N9O6
SMILES
C/C(=N\N/C(=N/N=C(\C)/CC1(C(=O)NC(=O)N(C1=O)C2CCCCC2)CC=C)/N)/CC3(C(=O)NC(=O)N(C3=O)C4CCCCC4)CC=C
InChI
InChI=1S/C33H47N9O6/c1-5-17-32(25(43)35-30(47)41(27(32)45)23-13-9-7-10-14-23)19-21(3)37-39-29(34)40-38-22(4)20-33(18-6-2)26(44)36-31(48)42(28(33)46)24-15-11-8-12-16-24/h5-6,23-24H,1-2,7-20H2,3-4H3,(H3,34,39,40)(H,35,43,47)(H,36,44,48)/b37-21+,38-22+
InChIKey
YRLRQQNVWFQLPO-DITNJDIQSA-N
Compound name
1,2-bis[(E)-1-(1-cyclohexyl-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

665.3649 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 666.37218 241.5
[M+Na]+ 688.35412 240.6
[M+NH4]+ 683.39872 240.6
[M+K]+ 704.32806 244.8
[M-H]- 664.35762 242.2
[M+Na-2H]- 686.33957 261.9
[M]+ 665.36435 240.1
[M]- 665.36545 240.1
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.