CID 6419128

1h-indene-1,2,3-trione, tris[(diaminomethyl)hydrazone], (1z,3e)-

Structural Information

Molecular Formula
C12H22N12
SMILES
C1=CC=C\2C(=C1)/C(=N\NC(N)N)/C(=NNC(N)N)/C2=N\NC(N)N
InChI
InChI=1S/C12H22N12/c13-10(14)22-19-7-5-3-1-2-4-6(5)8(20-23-11(15)16)9(7)21-24-12(17)18/h1-4,10-12,22-24H,13-18H2/b19-7-,20-8+,21-9?
InChIKey
IVEGOMZGDPLJCO-BGQGICPZSA-N
Compound name
N\""-[(E)-[(3Z)-2,3-bis(diaminomethylhydrazinylidene)inden-1-ylidene]amino]methanetriamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.20905 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21633 158.7
[M+Na]+ 357.19827 161.4
[M-H]- 333.20177 165.7
[M+NH4]+ 352.24287 171.7
[M+K]+ 373.17221 162.6
[M+H-H2O]+ 317.20631 148.0
[M+HCOO]- 379.20725 192.9
[M+CH3COO]- 393.22290 247.6
[M+Na-2H]- 355.18372 163.7
[M]+ 334.20850 149.9
[M]- 334.20960 149.9
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.