CID 6419130

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

Structural Information

Molecular Formula
C16H24N12
SMILES
C1=CC=C2C=C\3C(=CC2=C1)/C(=N\NC(N)N)/C(=NNC(N)N)/C3=N\NC(N)N
InChI
InChI=1S/C16H24N12/c17-14(18)26-23-11-9-5-7-3-1-2-4-8(7)6-10(9)12(24-27-15(19)20)13(11)25-28-16(21)22/h1-6,14-16,26-28H,17-22H2/b23-11-,24-12+,25-13?
InChIKey
DYTQVHOZXVTYNA-WKVBNNMBSA-N
Compound name
N\""-[(E)-[(3Z)-2,3-bis(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2247 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.23198 168.1
[M+Na]+ 407.21392 171.4
[M-H]- 383.21742 175.8
[M+NH4]+ 402.25852 180.4
[M+K]+ 423.18786 171.8
[M+H-H2O]+ 367.22196 158.2
[M+HCOO]- 429.22290 200.9
[M+CH3COO]- 443.23855 257.9
[M+Na-2H]- 405.19937 234.0
[M]+ 384.22415 160.8
[M]- 384.22525 160.8
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.