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

911
Patents

341.0931 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10038 180.7
[M+Na]+ 364.08232 193.1
[M-H]- 340.08582 185.8
[M+NH4]+ 359.12692 199.5
[M+K]+ 380.05626 186.1
[M+H-H2O]+ 324.09036 174.1
[M+HCOO]- 386.09130 196.4
[M+CH3COO]- 400.10695 192.5
[M+Na-2H]- 362.06777 181.8
[M]+ 341.09255 187.2
[M]- 341.09365 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