CID 601378

57663-56-6

Structural Information

Molecular Formula
C24H16N2O4
SMILES
C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-]
InChI
InChI=1S/C24H16N2O4/c27-23-21-19-15-5-1-2-6-16(15)20(18-8-4-3-7-17(18)19)22(21)24(28)25(23)13-9-11-14(12-10-13)26(29)30/h1-12,19-22H
InChIKey
MLBNTVOLHQHDMW-UHFFFAOYSA-N
Compound name
17-(4-nitrophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.111 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.11828 184.7
[M+Na]+ 419.10022 188.2
[M-H]- 395.10372 191.2
[M+NH4]+ 414.14482 198.8
[M+K]+ 435.07416 178.7
[M+H-H2O]+ 379.10826 177.6
[M+HCOO]- 441.10920 196.5
[M+CH3COO]- 455.12485 224.4
[M+Na-2H]- 417.08567 190.8
[M]+ 396.11045 184.5
[M]- 396.11155 184.5
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.