CID 5272096

4,5-diphenylpyridazino[4,3-b]indol-3-amine

Structural Information

Molecular Formula
C22H16N4
SMILES
C1=CC=C(C=C1)C2=C3C(=NN=C2N)C4=CC=CC=C4N3C5=CC=CC=C5
InChI
InChI=1S/C22H16N4/c23-22-19(15-9-3-1-4-10-15)21-20(24-25-22)17-13-7-8-14-18(17)26(21)16-11-5-2-6-12-16/h1-14H,(H2,23,25)
InChIKey
RTJWDOVDNVULMY-UHFFFAOYSA-N
Compound name
4,5-diphenylpyridazino[4,3-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.13748 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14476 180.3
[M+Na]+ 359.12670 191.1
[M-H]- 335.13020 188.3
[M+NH4]+ 354.17130 192.6
[M+K]+ 375.10064 182.0
[M+H-H2O]+ 319.13474 168.7
[M+HCOO]- 381.13568 200.9
[M+CH3COO]- 395.15133 190.9
[M+Na-2H]- 357.11215 186.9
[M]+ 336.13693 180.4
[M]- 336.13803 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.