CID 261071

Nsc92943

Structural Information

Molecular Formula
C21H14N2O2
SMILES
CN1C2=C(C3=CC=CC=C31)C4=C(C=C2)C(=O)N(C4=O)C5=CC=CC=C5
InChI
InChI=1S/C21H14N2O2/c1-22-16-10-6-5-9-14(16)18-17(22)12-11-15-19(18)21(25)23(20(15)24)13-7-3-2-4-8-13/h2-12H,1H3
InChIKey
WZIQEWYKYOCYRA-UHFFFAOYSA-N
Compound name
6-methyl-2-phenylpyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.10553 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11281 177.2
[M+Na]+ 349.09475 190.1
[M-H]- 325.09825 185.9
[M+NH4]+ 344.13935 195.6
[M+K]+ 365.06869 182.7
[M+H-H2O]+ 309.10279 168.9
[M+HCOO]- 371.10373 197.8
[M+CH3COO]- 385.11938 189.8
[M+Na-2H]- 347.08020 179.4
[M]+ 326.10498 181.2
[M]- 326.10608 181.2
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.