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]+ 297.13460 166.4
[M+Na]+ 319.11654 174.2
[M-H]- 295.12004 173.6
[M+NH4]+ 314.16114 181.2
[M+K]+ 335.09048 166.5
[M+H-H2O]+ 279.12458 161.3
[M+HCOO]- 341.12552 191.8
[M+CH3COO]- 355.14117 203.8
[M+Na-2H]- 317.10199 174.1
[M]+ 296.12677 168.2
[M]- 296.12787 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.