CID 6481888

Ca-8

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CC1=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C(=O)N(C2=O)CCN(C)C
InChI
InChI=1S/C20H21N3O3/c1-11-9-14-17(20(25)23(19(14)24)8-7-22(2)3)16-13-10-12(26-4)5-6-15(13)21-18(11)16/h5-6,9-10,21H,7-8H2,1-4H3
InChIKey
LPNKMBHHSKCJBC-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

351.1583 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 184.5
[M+Na]+ 374.14752 195.8
[M-H]- 350.15102 189.9
[M+NH4]+ 369.19212 202.2
[M+K]+ 390.12146 190.6
[M+H-H2O]+ 334.15556 177.6
[M+HCOO]- 396.15650 204.3
[M+CH3COO]- 410.17215 221.5
[M+Na-2H]- 372.13297 184.8
[M]+ 351.15775 191.4
[M]- 351.15885 191.4
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.