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]+ 350.18630 186.6
[M+Na]+ 372.16824 204.4
[M+NH4]+ 367.21284 194.8
[M+K]+ 388.14218 196.5
[M-H]- 348.17174 189.6
[M+Na-2H]- 370.15369 192.3
[M]+ 349.17847 190.3
[M]- 349.17957 190.3
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.