CID 6434485

Brn 1180925

Structural Information

Molecular Formula
C21H23N3O4
SMILES
CCN(CC)CCOC1=CC(=NC2=CC=CC=C21)/C=C\C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C21H23N3O4/c1-3-23(4-2)13-14-27-20-15-16(22-19-8-6-5-7-18(19)20)9-10-17-11-12-21(28-17)24(25)26/h5-12,15H,3-4,13-14H2,1-2H3/b10-9-
InChIKey
HIKWCAOXKACBOV-KTKRTIGZSA-N
Compound name
N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.16885 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17613 193.7
[M+Na]+ 404.15807 199.2
[M-H]- 380.16157 201.9
[M+NH4]+ 399.20267 204.7
[M+K]+ 420.13201 192.2
[M+H-H2O]+ 364.16611 188.2
[M+HCOO]- 426.16705 218.1
[M+CH3COO]- 440.18270 218.7
[M+Na-2H]- 402.14352 199.2
[M]+ 381.16830 199.1
[M]- 381.16940 199.1
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.