CID 24964624

Mk-2206

Structural Information

Molecular Formula
C25H21N5O
SMILES
C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N
InChI
InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)
InChIKey
ULDXWLCXEDXJGE-UHFFFAOYSA-N
Compound name
8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

440
References

2859
Patents

407.17462 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18190 200.4
[M+Na]+ 430.16384 209.6
[M-H]- 406.16734 208.2
[M+NH4]+ 425.20844 203.4
[M+K]+ 446.13778 203.1
[M+H-H2O]+ 390.17188 182.1
[M+HCOO]- 452.17282 215.4
[M+CH3COO]- 466.18847 208.1
[M+Na-2H]- 428.14929 204.0
[M]+ 407.17407 207.0
[M]- 407.17517 207.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.