CID 6434043

Brn 1548611

Structural Information

Molecular Formula
C19H14N2O4
SMILES
CC1=CC=C(C=C1)/C=C/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H14N2O4/c1-13-4-6-14(7-5-13)8-11-17(22)25-19-16(21(23)24)10-9-15-3-2-12-20-18(15)19/h2-12H,1H3/b11-8+
InChIKey
RCBOZJQOKYRRNL-DHZHZOJOSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(4-methylphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.09537 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10265 177.2
[M+Na]+ 357.08459 183.6
[M-H]- 333.08809 183.4
[M+NH4]+ 352.12919 189.1
[M+K]+ 373.05853 174.8
[M+H-H2O]+ 317.09263 171.9
[M+HCOO]- 379.09357 198.7
[M+CH3COO]- 393.10922 204.1
[M+Na-2H]- 355.07004 183.7
[M]+ 334.09482 177.4
[M]- 334.09592 177.4
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.