CID 6433209

Brn 0769727

Structural Information

Molecular Formula
C19H16N4O5
SMILES
CC(=O)NC1=CC2=C(C=C(N=C2C=C1)/C=C/C3=CC=C(O3)[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C19H16N4O5/c1-11(24)20-13-4-7-17-16(9-13)18(21-12(2)25)10-14(22-17)3-5-15-6-8-19(28-15)23(26)27/h3-10H,1-2H3,(H,20,24)(H,21,22,25)/b5-3+
InChIKey
ZCZJMKGJOACQJR-HWKANZROSA-N
Compound name
N-[4-acetamido-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-6-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

380.11206 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.11934 187.7
[M+Na]+ 403.10128 193.6
[M-H]- 379.10478 195.5
[M+NH4]+ 398.14588 197.7
[M+K]+ 419.07522 186.5
[M+H-H2O]+ 363.10932 183.0
[M+HCOO]- 425.11026 211.8
[M+CH3COO]- 439.12591 216.5
[M+Na-2H]- 401.08673 193.4
[M]+ 380.11151 189.6
[M]- 380.11261 189.6
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

patents stripe