CID 473846

210469-27-5

Structural Information

Molecular Formula
C28H41N5O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)NCCCCCCCCN
InChI
InChI=1S/C28H41N5O/c1-23-25-19-20-27(30-22-14-7-3-2-6-13-21-29)32-33(25)28(31-23)18-12-5-4-11-17-26(34)24-15-9-8-10-16-24/h8-10,15-16,19-20H,2-7,11-14,17-18,21-22,29H2,1H3,(H,30,32)
InChIKey
CCXFKQISUVBZSY-UHFFFAOYSA-N
Compound name
7-[2-(8-aminooctylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

463.33112 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.33840 219.6
[M+Na]+ 486.32034 222.8
[M-H]- 462.32384 221.4
[M+NH4]+ 481.36494 225.8
[M+K]+ 502.29428 214.7
[M+H-H2O]+ 446.32838 207.2
[M+HCOO]- 508.32932 237.9
[M+CH3COO]- 522.34497 243.3
[M+Na-2H]- 484.30579 218.8
[M]+ 463.33057 224.7
[M]- 463.33167 224.7
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.