CID 70817911

Bay1125976

Structural Information

Molecular Formula
C23H21N5O
SMILES
C1CC(C1)(C2=CC=C(C=C2)C3=C(N4C(=N3)C=CC(=N4)C(=O)N)C5=CC=CC=C5)N
InChI
InChI=1S/C23H21N5O/c24-22(29)18-11-12-19-26-20(21(28(19)27-18)16-5-2-1-3-6-16)15-7-9-17(10-8-15)23(25)13-4-14-23/h1-3,5-12H,4,13-14,25H2,(H2,24,29)
InChIKey
JBGYKRAZYDNCNV-UHFFFAOYSA-N
Compound name
2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

554
Patents

383.17462 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18190 195.0
[M+Na]+ 406.16384 202.0
[M-H]- 382.16734 204.0
[M+NH4]+ 401.20844 199.3
[M+K]+ 422.13778 197.9
[M+H-H2O]+ 366.17188 177.6
[M+HCOO]- 428.17282 213.5
[M+CH3COO]- 442.18847 203.3
[M+Na-2H]- 404.14929 197.1
[M]+ 383.17407 201.3
[M]- 383.17517 201.3
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

patents stripe