CID 496094

Nsc679262

Structural Information

Molecular Formula
C21H20N2O2
SMILES
CCC(=O)C1=CC2=C(C=C1)NC3=C(C4=C(C(=C23)C)NC(=CC4=O)C)C
InChI
InChI=1S/C21H20N2O2/c1-5-16(24)13-6-7-15-14(9-13)18-11(3)21-19(12(4)20(18)23-15)17(25)8-10(2)22-21/h6-9,23H,5H2,1-4H3,(H,22,25)
InChIKey
DQVPSIFKNRRLQU-UHFFFAOYSA-N
Compound name
2,5,11-trimethyl-9-propanoyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.15247 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.15975 181.2
[M+Na]+ 355.14169 194.6
[M-H]- 331.14519 184.4
[M+NH4]+ 350.18629 197.1
[M+K]+ 371.11563 186.3
[M+H-H2O]+ 315.14973 173.8
[M+HCOO]- 377.15067 198.3
[M+CH3COO]- 391.16632 192.5
[M+Na-2H]- 353.12714 183.9
[M]+ 332.15192 186.1
[M]- 332.15302 186.1
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.