CID 3080004

Brn 5994808

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CCC1=C2C(=C3C=CC=CC3=N2)C=C4C1=C(NN=C4OCC)OCC
InChI
InChI=1S/C20H21N3O2/c1-4-12-17-15(19(24-5-2)22-23-20(17)25-6-3)11-14-13-9-7-8-10-16(13)21-18(12)14/h7-11,23H,4-6H2,1-3H3
InChIKey
KDSSQNNNMDFRSS-UHFFFAOYSA-N
Compound name
1,4-diethoxy-5-ethyl-3H-pyridazino[4,5-b]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 182.4
[M+Na]+ 358.15262 194.7
[M-H]- 334.15612 184.7
[M+NH4]+ 353.19722 197.0
[M+K]+ 374.12656 187.5
[M+H-H2O]+ 318.16066 172.9
[M+HCOO]- 380.16160 200.7
[M+CH3COO]- 394.17725 193.3
[M+Na-2H]- 356.13807 188.4
[M]+ 335.16285 190.1
[M]- 335.16395 190.1
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.