CID 57971177

1197377-34-6

Structural Information

Molecular Formula
C22H14FN5O2
SMILES
C1=CC2=C(C=CC(=C2)CC3=CN=C4N3N=C(C=N4)C5=CC(=C(C=C5)C(=O)O)F)N=C1
InChI
InChI=1S/C22H14FN5O2/c23-18-10-15(4-5-17(18)21(29)30)20-12-26-22-25-11-16(28(22)27-20)9-13-3-6-19-14(8-13)2-1-7-24-19/h1-8,10-12H,9H2,(H,29,30)
InChIKey
DQQPUNCZEKUXNJ-UHFFFAOYSA-N
Compound name
2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

102
References

89
Patents

399.11316 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.12044 195.8
[M+Na]+ 422.10238 207.1
[M-H]- 398.10588 199.5
[M+NH4]+ 417.14698 202.4
[M+K]+ 438.07632 197.8
[M+H-H2O]+ 382.11042 182.3
[M+HCOO]- 444.11136 209.8
[M+CH3COO]- 458.12701 204.1
[M+Na-2H]- 420.08783 199.7
[M]+ 399.11261 197.4
[M]- 399.11371 197.4
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