CID 3080003

126828-40-8

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CCC1=C2C(=CC3=C1C(=NN=C3OCC)OCC)C4=CC=CC=C4N2C
InChI
InChI=1S/C21H23N3O2/c1-5-13-18-16(20(25-6-2)22-23-21(18)26-7-3)12-15-14-10-8-9-11-17(14)24(4)19(13)15/h8-12H,5-7H2,1-4H3
InChIKey
IPRNHDAQKJPNFI-UHFFFAOYSA-N
Compound name
1,4-diethoxy-5-ethyl-6-methylpyridazino[4,5-b]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.186296 188.2
[M+Na]+ 372.168238 201.2
[M-H]- 348.171744 191.9
[M+NH4]+ 367.212843 203.1
[M+K]+ 388.142178 194.6
[M+H-H2O]+ 332.176280 178.3
[M+HCOO]- 394.177221 207.5
[M+CH3COO]- 408.192871 199.5
[M+Na-2H]- 370.153686 193.1
[M]+ 349.17847142 198.3
[M]- 349.17956858 198.3
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.