CID 3042500

Brn 0840573

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CCC1=C2C(=CC3=C1C(=NN=C3OC)OC)C4=CC=CC=C4N2C
InChI
InChI=1S/C19H19N3O2/c1-5-11-16-14(18(23-3)20-21-19(16)24-4)10-13-12-8-6-7-9-15(12)22(2)17(11)13/h6-10H,5H2,1-4H3
InChIKey
JKGVATBXNQWKGS-UHFFFAOYSA-N
Compound name
5-ethyl-1,4-dimethoxy-6-methylpyridazino[4,5-b]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.14774 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 178.8
[M+Na]+ 344.13696 192.8
[M-H]- 320.14046 183.0
[M+NH4]+ 339.18156 195.0
[M+K]+ 360.11090 186.6
[M+H-H2O]+ 304.14500 169.4
[M+HCOO]- 366.14594 198.8
[M+CH3COO]- 380.16159 191.1
[M+Na-2H]- 342.12241 184.8
[M]+ 321.14719 188.3
[M]- 321.14829 188.3
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.