CID 473845

210469-26-4

Structural Information

Molecular Formula
C26H37N5O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCC(=O)C3=CC=CC=C3)NCCCCCCN
InChI
InChI=1S/C26H37N5O/c1-21-23-17-18-25(28-20-12-5-4-11-19-27)30-31(23)26(29-21)16-10-3-2-9-15-24(32)22-13-7-6-8-14-22/h6-8,13-14,17-18H,2-5,9-12,15-16,19-20,27H2,1H3,(H,28,30)
InChIKey
PWUCPVNVJBAGKR-UHFFFAOYSA-N
Compound name
7-[2-(6-aminohexylamino)-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

435.2998 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.30708 211.2
[M+Na]+ 458.28902 215.4
[M-H]- 434.29252 213.4
[M+NH4]+ 453.33362 218.6
[M+K]+ 474.26296 207.7
[M+H-H2O]+ 418.29706 199.2
[M+HCOO]- 480.29800 230.2
[M+CH3COO]- 494.31365 237.5
[M+Na-2H]- 456.27447 211.4
[M]+ 435.29925 215.7
[M]- 435.30035 215.7
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.