CID 5778945

Nsc658139

Structural Information

Molecular Formula
C27H15N5O6
SMILES
C1C2=CC=CC=C2C(=N/N=C\3/C4=C(C=CC(=C4)[N+](=O)[O-])C5=C3C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])C6=CC=CC=C61
InChI
InChI=1S/C27H15N5O6/c33-30(34)17-9-10-21-22(12-17)27(23-13-18(31(35)36)14-24(25(21)23)32(37)38)29-28-26-19-7-3-1-5-15(19)11-16-6-2-4-8-20(16)26/h1-10,12-14H,11H2/b29-27-
InChIKey
IUKHXDTZYAUMLP-OHYPFYFLSA-N
Compound name
(Z)-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]-10H-anthracen-9-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.10223 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.10951 211.7
[M+Na]+ 528.09145 210.5
[M-H]- 504.09495 221.1
[M+NH4]+ 523.13605 218.0
[M+K]+ 544.06539 194.8
[M+H-H2O]+ 488.09949 211.2
[M+HCOO]- 550.10043 231.7
[M+CH3COO]- 564.11608 236.0
[M+Na-2H]- 526.07690 222.4
[M]+ 505.10168 206.5
[M]- 505.10278 206.5
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.