CID 486231

[4-[5-amino-1-(3-phenylquinoxalin-2-yl)pyrazol-3-yl]phenyl]methanol

Structural Information

Molecular Formula
C24H19N5O
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2N4C(=CC(=N4)C5=CC=C(C=C5)CO)N
InChI
InChI=1S/C24H19N5O/c25-22-14-21(17-12-10-16(15-30)11-13-17)28-29(22)24-23(18-6-2-1-3-7-18)26-19-8-4-5-9-20(19)27-24/h1-14,30H,15,25H2
InChIKey
HEKWBMHHZQFKBW-UHFFFAOYSA-N
Compound name
[4-[5-amino-1-(3-phenylquinoxalin-2-yl)pyrazol-3-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.15897 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16625 195.6
[M+Na]+ 416.14819 205.5
[M-H]- 392.15169 203.5
[M+NH4]+ 411.19279 202.4
[M+K]+ 432.12213 195.8
[M+H-H2O]+ 376.15623 182.9
[M+HCOO]- 438.15717 214.2
[M+CH3COO]- 452.17282 204.4
[M+Na-2H]- 414.13364 199.7
[M]+ 393.15842 195.5
[M]- 393.15952 195.5
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.