CID 281561

Nsc134396

Structural Information

Molecular Formula
C30H22N2O5
SMILES
CC(=O)OC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N=[N+](C4=CC5=C(C=C4)C6=C(C5)C=C(C=C6)OC(=O)C)[O-]
InChI
InChI=1S/C30H22N2O5/c1-17(33)36-25-5-9-29-21(15-25)11-19-13-23(3-7-27(19)29)31-32(35)24-4-8-28-20(14-24)12-22-16-26(37-18(2)34)6-10-30(22)28/h3-10,13-16H,11-12H2,1-2H3
InChIKey
OZBRKECUISGBPA-UHFFFAOYSA-N
Compound name
(7-acetyloxy-9H-fluoren-2-yl)-[(7-acetyloxy-9H-fluoren-2-yl)imino]-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.15286 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.16014 217.7
[M+Na]+ 513.14208 221.9
[M-H]- 489.14558 229.1
[M+NH4]+ 508.18668 230.4
[M+K]+ 529.11602 213.2
[M+H-H2O]+ 473.15012 212.7
[M+HCOO]- 535.15106 237.5
[M+CH3COO]- 549.16671 240.3
[M+Na-2H]- 511.12753 219.7
[M]+ 490.15231 221.0
[M]- 490.15341 221.0
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.