CID 201159

3369-04-8

Structural Information

Molecular Formula
C18H18N4O3
SMILES
C1COCCN1CC2=C(N=C3N2C=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C18H18N4O3/c23-22(24)15-6-4-14(5-7-15)18-16(13-20-9-11-25-12-10-20)21-8-2-1-3-17(21)19-18/h1-8H,9-13H2
InChIKey
HAGZUEIRBSWOCR-UHFFFAOYSA-N
Compound name
4-[[2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.13788 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.145156 177.0
[M+Na]+ 361.127098 182.6
[M-H]- 337.130604 184.1
[M+NH4]+ 356.171703 186.0
[M+K]+ 377.101038 174.3
[M+H-H2O]+ 321.135140 170.0
[M+HCOO]- 383.136081 194.9
[M+CH3COO]- 397.151731 203.9
[M+Na-2H]- 359.112546 183.6
[M]+ 338.13733142 174.4
[M]- 338.13842858 174.4
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

No patent data available for this compound.