CID 6444908

Brn 1554576

Structural Information

Molecular Formula
C18H11N3O6
SMILES
C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])OC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])N=C1
InChI
InChI=1S/C18H11N3O6/c22-16(10-5-12-3-7-14(8-4-12)20(23)24)27-18-15(21(25)26)9-6-13-2-1-11-19-17(13)18/h1-11H/b10-5+
InChIKey
MCVVPANXGTVDHP-BJMVGYQFSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(4-nitrophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0648 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.07208 182.4
[M+Na]+ 388.05402 186.4
[M-H]- 364.05752 188.3
[M+NH4]+ 383.09862 191.2
[M+K]+ 404.02796 174.5
[M+H-H2O]+ 348.06206 181.0
[M+HCOO]- 410.06300 204.1
[M+CH3COO]- 424.07865 203.1
[M+Na-2H]- 386.03947 191.1
[M]+ 365.06425 180.4
[M]- 365.06535 180.4
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.