CID 3042498

5-ethyl-1,4-dimethoxy-6h-pyridazino(4,5-b)carbazole

Structural Information

Molecular Formula
C18H17N3O2
SMILES
CCC1=C2C(=C3C=CC=CC3=N2)C=C4C1=C(NN=C4OC)OC
InChI
InChI=1S/C18H17N3O2/c1-4-10-15-13(17(22-2)20-21-18(15)23-3)9-12-11-7-5-6-8-14(11)19-16(10)12/h5-9,21H,4H2,1-3H3
InChIKey
HIMLFBLOTJZGEG-UHFFFAOYSA-N
Compound name
5-ethyl-1,4-dimethoxy-3H-pyridazino[4,5-b]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.13208 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.139356 173.1
[M+Na]+ 330.121298 186.4
[M-H]- 306.124804 175.8
[M+NH4]+ 325.165903 189.0
[M+K]+ 346.095238 179.6
[M+H-H2O]+ 290.129340 164.2
[M+HCOO]- 352.130281 192.2
[M+CH3COO]- 366.145931 185.0
[M+Na-2H]- 328.106746 180.2
[M]+ 307.13153142 180.3
[M]- 307.13262858 180.3
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.