CID 6481892

Ca-2

Structural Information

Molecular Formula
C18H16ClN3O2
SMILES
CN(C)CCN1C(=O)C2=C(C1=O)C3=C(C=C2)NC4=C3C=C(C=C4)Cl
InChI
InChI=1S/C18H16ClN3O2/c1-21(2)7-8-22-17(23)11-4-6-14-15(16(11)18(22)24)12-9-10(19)3-5-13(12)20-14/h3-6,9,20H,7-8H2,1-2H3
InChIKey
WTERXTOJCWCTGF-UHFFFAOYSA-N
Compound name
9-chloro-2-[2-(dimethylamino)ethyl]-6H-pyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1118
Patents

341.0931 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.100376 180.7
[M+Na]+ 364.082318 193.1
[M-H]- 340.085824 185.8
[M+NH4]+ 359.126923 199.5
[M+K]+ 380.056258 186.1
[M+H-H2O]+ 324.090360 174.1
[M+HCOO]- 386.091301 196.4
[M+CH3COO]- 400.106951 192.5
[M+Na-2H]- 362.067766 181.8
[M]+ 341.09255142 187.2
[M]- 341.09364858 187.2
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

patents stripe