CID 3079486

7h-indeno(2,1-c)quinolin-7-one, 6-(4-methylphenyl)-3-nitro-

Structural Information

Molecular Formula
C23H14N2O3
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)[N+](=O)[O-])C4=C2C(=O)C5=CC=CC=C54
InChI
InChI=1S/C23H14N2O3/c1-13-6-8-14(9-7-13)22-21-20(16-4-2-3-5-17(16)23(21)26)18-11-10-15(25(27)28)12-19(18)24-22/h2-12H,1H3
InChIKey
VGYCYHDKSPPCMH-UHFFFAOYSA-N
Compound name
6-(4-methylphenyl)-3-nitroindeno[2,1-c]quinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.10043 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10771 186.6
[M+Na]+ 389.08965 195.4
[M-H]- 365.09315 195.4
[M+NH4]+ 384.13425 201.0
[M+K]+ 405.06359 184.5
[M+H-H2O]+ 349.09769 181.1
[M+HCOO]- 411.09863 206.9
[M+CH3COO]- 425.11428 214.8
[M+Na-2H]- 387.07510 192.8
[M]+ 366.09988 187.3
[M]- 366.10098 187.3
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.