CID 6434044

Brn 1551435

Structural Information

Molecular Formula
C18H11ClN2O4
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C18H11ClN2O4/c19-14-6-2-1-4-12(14)8-10-16(22)25-18-15(21(23)24)9-7-13-5-3-11-20-17(13)18/h1-11H/b10-8+
InChIKey
IJSSERWXPBZWHX-CSKARUKUSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(2-chlorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.04074 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.04802 179.4
[M+Na]+ 377.02996 186.7
[M-H]- 353.03346 185.3
[M+NH4]+ 372.07456 191.3
[M+K]+ 393.00390 176.8
[M+H-H2O]+ 337.03800 175.1
[M+HCOO]- 399.03894 196.7
[M+CH3COO]- 413.05459 204.8
[M+Na-2H]- 375.01541 185.9
[M]+ 354.04019 181.7
[M]- 354.04129 181.7
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

No patent data available for this compound.