CID 6419124

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

Structural Information

Molecular Formula
C11H18N8
SMILES
C\1/C(=N\NC(N)N)/C2=CC=CC=C2/C1=N\NC(N)N
InChI
InChI=1S/C11H18N8/c12-10(13)18-16-8-5-9(17-19-11(14)15)7-4-2-1-3-6(7)8/h1-4,10-11,18-19H,5,12-15H2/b16-8-,17-9+
InChIKey
KXEJDLRVFLKYDN-VAQFQWRASA-N
Compound name
N\""-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)inden-1-ylidene]amino]methanetriamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16544 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17272 148.2
[M+Na]+ 285.15466 151.2
[M-H]- 261.15816 153.6
[M+NH4]+ 280.19926 165.1
[M+K]+ 301.12860 150.2
[M+H-H2O]+ 245.16270 139.4
[M+HCOO]- 307.16364 177.9
[M+CH3COO]- 321.17929 221.0
[M+Na-2H]- 283.14011 152.8
[M]+ 262.16489 139.5
[M]- 262.16599 139.5
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.