CID 12213894

5-nitro-2-furaldehyde [6-chloro-8-(trifluoromethyl)quinolin-4-yl]hydrazone

Structural Information

Molecular Formula
C15H8ClF3N4O3
SMILES
C1=CN=C2C(=CC(=CC2=C1N/N=C/C3=CC=C(O3)[N+](=O)[O-])Cl)C(F)(F)F
InChI
InChI=1S/C15H8ClF3N4O3/c16-8-5-10-12(3-4-20-14(10)11(6-8)15(17,18)19)22-21-7-9-1-2-13(26-9)23(24)25/h1-7H,(H,20,22)/b21-7+
InChIKey
PXUPNNGEIUDSGF-QPSGOUHRSA-N
Compound name
6-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-8-(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

384.0237 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.03098 180.8
[M+Na]+ 407.01292 190.6
[M-H]- 383.01642 186.1
[M+NH4]+ 402.05752 192.7
[M+K]+ 422.98686 181.5
[M+H-H2O]+ 367.02096 174.8
[M+HCOO]- 429.02190 199.7
[M+CH3COO]- 443.03755 215.3
[M+Na-2H]- 404.99837 189.6
[M]+ 384.02315 182.1
[M]- 384.02425 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.