CID 12631410

76220-76-3

Structural Information

Molecular Formula
C17H23N2O3
SMILES
CC[N+](CC)(CC)CC1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H23N2O3/c1-4-19(5-2,6-3)13-16-11-12-17(22-16)14-7-9-15(10-8-14)18(20)21/h7-12H,4-6,13H2,1-3H3/q+1
InChIKey
MXOUJPMLVJMYIP-UHFFFAOYSA-N
Compound name
triethyl-[[5-(4-nitrophenyl)furan-2-yl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.17087 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.17815 174.5
[M+Na]+ 326.16009 179.5
[M-H]- 302.16359 183.1
[M+NH4]+ 321.20469 189.2
[M+K]+ 342.13403 168.3
[M+H-H2O]+ 286.16813 174.3
[M+HCOO]- 348.16907 198.8
[M+CH3COO]- 362.18472 198.5
[M+Na-2H]- 324.14554 183.4
[M]+ 303.17032 175.5
[M]- 303.17142 175.5
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.