CID 6419125

1h-indene-1,3(2h)-dione, 2-methyl-, bis[(diaminomethyl)hydrazone], (1z,3e)-

Structural Information

Molecular Formula
C12H20N8
SMILES
CC\1/C(=N\NC(N)N)/C2=CC=CC=C2/C1=N\NC(N)N
InChI
InChI=1S/C12H20N8/c1-6-9(17-19-11(13)14)7-4-2-3-5-8(7)10(6)18-20-12(15)16/h2-6,11-12,19-20H,13-16H2,1H3/b17-9-,18-10+
InChIKey
XHDLNDQCKJSVPK-BUOZRGFLSA-N
Compound name
N\""-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)-2-methylinden-1-ylidene]amino]methanetriamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1811 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.18838 154.9
[M+Na]+ 299.17032 158.3
[M-H]- 275.17382 160.4
[M+NH4]+ 294.21492 171.5
[M+K]+ 315.14426 157.1
[M+H-H2O]+ 259.17836 146.2
[M+HCOO]- 321.17930 184.1
[M+CH3COO]- 335.19495 225.2
[M+Na-2H]- 297.15577 158.0
[M]+ 276.18055 146.8
[M]- 276.18165 146.8
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.