CID 6446219

Brn 1509658

Structural Information

Molecular Formula
C23H16N2O4
SMILES
C/C(=C\C1=CC=CC2=CC=CC=C21)/C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C23H16N2O4/c1-15(14-18-8-4-7-16-6-2-3-10-19(16)18)23(26)29-22-20(25(27)28)12-11-17-9-5-13-24-21(17)22/h2-14H,1H3/b15-14+
InChIKey
ZDFHISPFOTXXDH-CCEZHUSRSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-2-methyl-3-naphthalen-1-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.111 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.11828 189.9
[M+Na]+ 407.10022 195.7
[M-H]- 383.10372 196.7
[M+NH4]+ 402.14482 200.0
[M+K]+ 423.07416 186.2
[M+H-H2O]+ 367.10826 183.4
[M+HCOO]- 429.10920 209.6
[M+CH3COO]- 443.12485 214.6
[M+Na-2H]- 405.08567 197.1
[M]+ 384.11045 190.6
[M]- 384.11155 190.6
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.