CID 6481889

Ca-9

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CN1C2=C(C=C(C=C2)OC)C3=C1C=CC4=C3C(=O)N(C4=O)CCN(C)C
InChI
InChI=1S/C20H21N3O3/c1-21(2)9-10-23-19(24)13-6-8-16-17(18(13)20(23)25)14-11-12(26-4)5-7-15(14)22(16)3/h5-8,11H,9-10H2,1-4H3
InChIKey
XBVZLLIVBHJNNW-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

351.1583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 184.5
[M+Na]+ 374.14752 196.1
[M-H]- 350.15102 191.2
[M+NH4]+ 369.19212 202.8
[M+K]+ 390.12146 191.7
[M+H-H2O]+ 334.15556 177.2
[M+HCOO]- 396.15650 205.7
[M+CH3COO]- 410.17215 223.7
[M+Na-2H]- 372.13297 185.1
[M]+ 351.15775 193.1
[M]- 351.15885 193.1
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

patents stripe