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 186.5
[M+Na]+ 403.10128 198.5
[M+NH4]+ 398.14588 191.1
[M+K]+ 419.07522 197.9
[M-H]- 379.10478 191.7
[M+Na-2H]- 401.08673 191.1
[M]+ 380.11151 189.2
[M]- 380.11261 189.2
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