CID 6419126

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

Structural Information

Molecular Formula
C11H17N9O2
SMILES
C1=CC=C\2C(=C1)/C(=N/NC(N)N)/C(/C2=N/NC(N)N)[N+](=O)[O-]
InChI
InChI=1S/C11H17N9O2/c12-10(13)18-16-7-5-3-1-2-4-6(5)8(9(7)20(21)22)17-19-11(14)15/h1-4,9-11,18-19H,12-15H2/b16-7-,17-8+
InChIKey
MJTZIQFYJNDLLP-NIVQCIBKSA-N
Compound name
N\""-[(E)-[(3Z)-3-(diaminomethylhydrazinylidene)-2-nitroinden-1-ylidene]amino]methanetriamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1505 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15778 150.1
[M+Na]+ 330.13972 151.7
[M-H]- 306.14322 155.2
[M+NH4]+ 325.18432 164.0
[M+K]+ 346.11366 147.4
[M+H-H2O]+ 290.14776 145.5
[M+HCOO]- 352.14870 180.2
[M+CH3COO]- 366.16435 222.1
[M+Na-2H]- 328.12517 156.6
[M]+ 307.14995 140.2
[M]- 307.15105 140.2
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.