CID 6444911

Brn 1551484

Structural Information

Molecular Formula
C20H16N2O4
SMILES
CC1=CC=C(C=C1)/C=C(\C)/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H16N2O4/c1-13-5-7-15(8-6-13)12-14(2)20(23)26-19-17(22(24)25)10-9-16-4-3-11-21-18(16)19/h3-12H,1-2H3/b14-12+
InChIKey
KECYJQRELPUNDK-WYMLVPIESA-N
Compound name
(7-nitroquinolin-8-yl) (E)-2-methyl-3-(4-methylphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.111 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11828 181.1
[M+Na]+ 371.10022 186.7
[M-H]- 347.10372 187.1
[M+NH4]+ 366.14482 192.3
[M+K]+ 387.07416 178.3
[M+H-H2O]+ 331.10826 175.9
[M+HCOO]- 393.10920 201.3
[M+CH3COO]- 407.12485 207.8
[M+Na-2H]- 369.08567 186.1
[M]+ 348.11045 181.1
[M]- 348.11155 181.1
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.