CID 16205096

36586-67-1

Structural Information

Molecular Formula
C16H13N2O2
SMILES
C1=CC=C2C(=C1)C=CC=[N+]2CC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H13N2O2/c19-18(20)15-8-3-5-13(11-15)12-17-10-4-7-14-6-1-2-9-16(14)17/h1-11H,12H2/q+1
InChIKey
NQINWSRBGLNIGK-UHFFFAOYSA-N
Compound name
1-[(3-nitrophenyl)methyl]quinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

265.09772 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.104996 162.6
[M+Na]+ 288.086938 169.0
[M-H]- 264.090444 168.9
[M+NH4]+ 283.131543 176.8
[M+K]+ 304.060878 154.8
[M+H-H2O]+ 248.094980 160.5
[M+HCOO]- 310.095921 184.7
[M+CH3COO]- 324.111571 186.5
[M+Na-2H]- 286.072386 173.9
[M]+ 265.09717142 159.7
[M]- 265.09826858 159.7
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

patents stripe