CID 455594

Imidazopyridazine 38

Structural Information

Molecular Formula
C23H27N5O
SMILES
CC1=C2C=CC(=NN2C(=N1)CCCCCCC(C3=CC=CC=C3)O)N4C=CN=C4
InChI
InChI=1S/C23H27N5O/c1-18-20-13-14-23(27-16-15-24-17-27)26-28(20)22(25-18)12-8-3-2-7-11-21(29)19-9-5-4-6-10-19/h4-6,9-10,13-17,21,29H,2-3,7-8,11-12H2,1H3
InChIKey
XNNDFZXOOZMWFV-UHFFFAOYSA-N
Compound name
7-(2-imidazol-1-yl-5-methylimidazo[1,5-b]pyridazin-7-yl)-1-phenylheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.22156 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.22884 195.5
[M+Na]+ 412.21078 203.2
[M-H]- 388.21428 199.0
[M+NH4]+ 407.25538 203.7
[M+K]+ 428.18472 195.6
[M+H-H2O]+ 372.21882 183.5
[M+HCOO]- 434.21976 211.7
[M+CH3COO]- 448.23541 203.6
[M+Na-2H]- 410.19623 195.2
[M]+ 389.22101 199.3
[M]- 389.22211 199.3
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.