CID 6444912

Brn 1555503

Structural Information

Molecular Formula
C19H12Cl2N2O4
SMILES
C/C(=C\C1=C(C=C(C=C1)Cl)Cl)/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H12Cl2N2O4/c1-11(9-13-4-6-14(20)10-15(13)21)19(24)27-18-16(23(25)26)7-5-12-3-2-8-22-17(12)18/h2-10H,1H3/b11-9+
InChIKey
XHZMJOCVWCPNIV-PKNBQFBNSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(2,4-dichlorophenyl)-2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.01743 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.02471 188.6
[M+Na]+ 425.00665 196.1
[M-H]- 401.01015 193.8
[M+NH4]+ 420.05125 199.3
[M+K]+ 440.98059 186.0
[M+H-H2O]+ 385.01469 185.4
[M+HCOO]- 447.01563 199.6
[M+CH3COO]- 461.03128 213.7
[M+Na-2H]- 422.99210 192.1
[M]+ 402.01688 192.7
[M]- 402.01798 192.7
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.