CID 135583284

N,n'-bis(1-hydroxyimino-2-oxopropyl)piperazine semicarbazone dihydrochloride

Structural Information

Molecular Formula
C12H22N10O4
SMILES
C/C(=N\NC(=O)N)/C(=N\O)/N1CCN(CC1)/C(=N/O)/C(=N/NC(=O)N)/C
InChI
InChI=1S/C12H22N10O4/c1-7(15-17-11(13)23)9(19-25)21-3-5-22(6-4-21)10(20-26)8(2)16-18-12(14)24/h25-26H,3-6H2,1-2H3,(H3,13,17,23)(H3,14,18,24)/b15-7+,16-8+,19-9+,20-10+
InChIKey
UYRFETXCKHDZAO-BGXAMZFYSA-N
Compound name
[(E)-[(1E)-1-[4-[(E)-C-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-N-hydroxycarbonimidoyl]piperazin-1-yl]-1-hydroxyiminopropan-2-ylidene]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18256 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18984 180.0
[M+Na]+ 393.17178 178.8
[M-H]- 369.17528 182.3
[M+NH4]+ 388.21638 187.2
[M+K]+ 409.14572 181.7
[M+H-H2O]+ 353.17982 169.4
[M+HCOO]- 415.18076 202.7
[M+CH3COO]- 429.19641 239.0
[M+Na-2H]- 391.15723 179.9
[M]+ 370.18201 171.5
[M]- 370.18311 171.5
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.