CID 5924591

53202-52-1

Structural Information

Molecular Formula
C12H22N6O2
SMILES
CN1CCN(CC1)C(=O)/N=N/C(=O)N2CCN(CC2)C
InChI
InChI=1S/C12H22N6O2/c1-15-3-7-17(8-4-15)11(19)13-14-12(20)18-9-5-16(2)6-10-18/h3-10H2,1-2H3/b14-13+
InChIKey
KKAJOAPHSIINCB-BUHFOSPRSA-N
Compound name
(NE)-4-methyl-N-(4-methylpiperazine-1-carbonyl)iminopiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

282.18042 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18770 169.5
[M+Na]+ 305.16964 172.5
[M-H]- 281.17314 171.9
[M+NH4]+ 300.21424 180.1
[M+K]+ 321.14358 171.5
[M+H-H2O]+ 265.17768 158.2
[M+HCOO]- 327.17862 184.6
[M+CH3COO]- 341.19427 206.8
[M+Na-2H]- 303.15509 170.9
[M]+ 282.17987 163.6
[M]- 282.18097 163.6
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.