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]+ 308.13936 173.1
[M+Na]+ 330.12130 186.4
[M-H]- 306.12480 175.8
[M+NH4]+ 325.16590 189.0
[M+K]+ 346.09524 179.6
[M+H-H2O]+ 290.12934 164.2
[M+HCOO]- 352.13028 192.2
[M+CH3COO]- 366.14593 185.0
[M+Na-2H]- 328.10675 180.2
[M]+ 307.13153 180.3
[M]- 307.13263 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.