CID 6481887

Ca-7

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CC1=CC2=C(C3=C1N(C4=CC=CC=C43)C)C(=O)N(C2=O)CCN(C)C
InChI
InChI=1S/C20H21N3O2/c1-12-11-14-17(20(25)23(19(14)24)10-9-21(2)3)16-13-7-5-6-8-15(13)22(4)18(12)16/h5-8,11H,9-10H2,1-4H3
InChIKey
JNABNUWRDZGZMP-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

335.1634 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 181.8
[M+Na]+ 358.15262 193.8
[M-H]- 334.15612 188.5
[M+NH4]+ 353.19722 201.0
[M+K]+ 374.12656 188.6
[M+H-H2O]+ 318.16066 174.6
[M+HCOO]- 380.16160 202.9
[M+CH3COO]- 394.17725 194.2
[M+Na-2H]- 356.13807 182.2
[M]+ 335.16285 189.0
[M]- 335.16395 189.0
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.