CID 11820809

1h-benz[e]indene-1,2(3h)-dione, 5-methyl-, bis[(diaminomethyl)hydrazone], (1e,2e)-

Structural Information

Molecular Formula
C16H22N8
SMILES
CC1=CC2=C(C3=CC=CC=C13)/C(=N\NC(N)N)/C(=N/NC(N)N)/C2
InChI
InChI=1S/C16H22N8/c1-8-6-9-7-12(21-23-15(17)18)14(22-24-16(19)20)13(9)11-5-3-2-4-10(8)11/h2-6,15-16,23-24H,7,17-20H2,1H3/b21-12+,22-14-
InChIKey
DLHBORRSXICQJR-UZSQJKSFSA-N
Compound name
N\""-[(E)-[(1E)-1-(diaminomethylhydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]methanetriamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19675 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20403 165.2
[M+Na]+ 349.18597 169.2
[M-H]- 325.18947 171.5
[M+NH4]+ 344.23057 181.0
[M+K]+ 365.15991 166.8
[M+H-H2O]+ 309.19401 156.8
[M+HCOO]- 371.19495 193.0
[M+CH3COO]- 385.21060 236.0
[M+Na-2H]- 347.17142 169.4
[M]+ 326.19620 158.2
[M]- 326.19730 158.2
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.