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

117
Patents

351.1583 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.165576 184.5
[M+Na]+ 374.147518 195.8
[M-H]- 350.151024 189.9
[M+NH4]+ 369.192123 202.2
[M+K]+ 390.121458 190.6
[M+H-H2O]+ 334.155560 177.6
[M+HCOO]- 396.156501 204.3
[M+CH3COO]- 410.172151 221.5
[M+Na-2H]- 372.132966 184.8
[M]+ 351.15775142 191.4
[M]- 351.15884858 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

patents stripe