CID 201120

3323-00-0

Structural Information

Molecular Formula
C19H20N4O2
SMILES
C1CCN(CC1)CC2=C(N=C3N2C=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H20N4O2/c24-23(25)16-9-7-15(8-10-16)19-17(14-21-11-3-1-4-12-21)22-13-5-2-6-18(22)20-19/h2,5-10,13H,1,3-4,11-12,14H2
InChIKey
FZZVGFOLHUCHOZ-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.15863 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 178.3
[M+Na]+ 359.14785 183.4
[M-H]- 335.15135 184.6
[M+NH4]+ 354.19245 188.8
[M+K]+ 375.12179 173.4
[M+H-H2O]+ 319.15589 171.1
[M+HCOO]- 381.15683 196.6
[M+CH3COO]- 395.17248 204.5
[M+Na-2H]- 357.13330 183.8
[M]+ 336.15808 174.1
[M]- 336.15918 174.1
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.