CID 201160

Brn 0828857

Structural Information

Molecular Formula
C16H16N4O2
SMILES
CN(C)CC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H16N4O2/c1-18(2)11-14-16(17-15-5-3-4-10-19(14)15)12-6-8-13(9-7-12)20(21)22/h3-10H,11H2,1-2H3
InChIKey
SYAQSTRNZKLRCC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-[2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12732 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.134596 166.4
[M+Na]+ 319.116538 174.2
[M-H]- 295.120044 173.6
[M+NH4]+ 314.161143 181.2
[M+K]+ 335.090478 166.5
[M+H-H2O]+ 279.124580 161.3
[M+HCOO]- 341.125521 191.8
[M+CH3COO]- 355.141171 203.8
[M+Na-2H]- 317.101986 174.1
[M]+ 296.12677142 168.2
[M]- 296.12786858 168.2
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.