CID 3077460

134337-08-9

Structural Information

Molecular Formula
C18H19BrN4O2
SMILES
C1CN(CCN1CCN2C3=C(C=C(C=N3)Br)OC2=O)C4=CC=CC=C4
InChI
InChI=1S/C18H19BrN4O2/c19-14-12-16-17(20-13-14)23(18(24)25-16)11-8-21-6-9-22(10-7-21)15-4-2-1-3-5-15/h1-5,12-13H,6-11H2
InChIKey
SYYLHCYCFMXSON-UHFFFAOYSA-N
Compound name
6-bromo-3-[2-(4-phenylpiperazin-1-yl)ethyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

402.06915 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.07643 189.5
[M+Na]+ 425.05837 195.4
[M+NH4]+ 420.10297 192.7
[M+K]+ 441.03231 195.2
[M-H]- 401.06187 192.8
[M+Na-2H]- 423.04382 193.0
[M]+ 402.06860 190.2
[M]- 402.06970 190.2
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