CID 170853949

2h-inden-2-one, 1,3-bis[(4-azidophenyl)methylene]-1,3-dihydro-

Structural Information

Molecular Formula
C23H15N6O
SMILES
C1=CC2=C(C(=O)C(=C2C=C1)C=C3C=CC(=N[N+]#N)C=C3)C=C4C=CC(=NN=N)C=C4
InChI
InChI=1S/C23H15N6O/c24-28-26-17-9-5-15(6-10-17)13-21-19-3-1-2-4-20(19)22(23(21)30)14-16-7-11-18(12-8-16)27-29-25/h1-14,24H/q+1
InChIKey
AQMNXLFUMJSEDI-UHFFFAOYSA-N
Compound name
1-[(4-diazonioiminocyclohexa-2,5-dien-1-ylidene)methyl]-3-[[4-(iminohydrazinylidene)cyclohexa-2,5-dien-1-ylidene]methyl]-2-oxoindene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.13074 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.13802 203.2
[M+Na]+ 414.11996 216.9
[M+NH4]+ 409.16456 207.8
[M+K]+ 430.09390 205.6
[M-H]- 390.12346 205.9
[M+Na-2H]- 412.10541 209.8
[M]+ 391.13019 205.2
[M]- 391.13129 205.2
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.