CID 6481893

Ca-3

Structural Information

Molecular Formula
C20H21N3O4
SMILES
CN(C)CCN1C(=O)C2=C(C1=O)C3=C(C=C2)NC4=CC(=C(C=C43)OC)OC
InChI
InChI=1S/C20H21N3O4/c1-22(2)7-8-23-19(24)11-5-6-13-17(18(11)20(23)25)12-9-15(26-3)16(27-4)10-14(12)21-13/h5-6,9-10,21H,7-8H2,1-4H3
InChIKey
ROWVFYOWXMREGE-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1246
Patents

367.1532 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16048 186.9
[M+Na]+ 390.14242 197.7
[M-H]- 366.14592 192.2
[M+NH4]+ 385.18702 203.7
[M+K]+ 406.11636 193.4
[M+H-H2O]+ 350.15046 179.9
[M+HCOO]- 412.15140 206.7
[M+CH3COO]- 426.16705 223.7
[M+Na-2H]- 388.12787 187.5
[M]+ 367.15265 195.1
[M]- 367.15375 195.1
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.