CID 129019494

Chembl4639107

Structural Information

Molecular Formula
C21H21N5O
SMILES
CC1=C(C=CC=C1C2=CN3C(=N2)N=CC(=N3)CNCCO)C4=CC=CC=C4
InChI
InChI=1S/C21H21N5O/c1-15-18(16-6-3-2-4-7-16)8-5-9-19(15)20-14-26-21(24-20)23-13-17(25-26)12-22-10-11-27/h2-9,13-14,22,27H,10-12H2,1H3
InChIKey
SIYAOZFRXTVXSP-UHFFFAOYSA-N
Compound name
2-[[6-(2-methyl-3-phenylphenyl)imidazo[1,2-b][1,2,4]triazin-2-yl]methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

359.17462 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.18190 186.8
[M+Na]+ 382.16384 196.0
[M-H]- 358.16734 191.7
[M+NH4]+ 377.20844 195.7
[M+K]+ 398.13778 187.7
[M+H-H2O]+ 342.17188 174.9
[M+HCOO]- 404.17282 206.1
[M+CH3COO]- 418.18847 196.1
[M+Na-2H]- 380.14929 191.9
[M]+ 359.17407 188.9
[M]- 359.17517 188.9
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