CID 455437

Chembl266321

Structural Information

Molecular Formula
C19H21N5O2
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C19H21N5O2/c1-2-20-15-7-5-9-21-17(15)23-10-12-24(13-11-23)19(25)18-22-14-6-3-4-8-16(14)26-18/h3-9,20H,2,10-13H2,1H3
InChIKey
QEJJEVNEAXDLDN-UHFFFAOYSA-N
Compound name
1,3-benzoxazol-2-yl-[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.16953 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17681 183.6
[M+Na]+ 374.15875 190.3
[M-H]- 350.16225 189.3
[M+NH4]+ 369.20335 191.5
[M+K]+ 390.13269 185.4
[M+H-H2O]+ 334.16679 171.5
[M+HCOO]- 396.16773 199.3
[M+CH3COO]- 410.18338 192.3
[M+Na-2H]- 372.14420 186.9
[M]+ 351.16898 182.8
[M]- 351.17008 182.8
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.