CID 9588274

2-(5-nitro-2-furyl-1,3-butadienyl)-4-quinolinecarboxaldehyde hydrazone

Structural Information

Molecular Formula
C18H14N4O3
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)/C=C/C=C/C3=CC=C(O3)[N+](=O)[O-])/C=N/N
InChI
InChI=1S/C18H14N4O3/c19-20-12-13-11-14(21-17-8-4-3-7-16(13)17)5-1-2-6-15-9-10-18(25-15)22(23)24/h1-12H,19H2/b5-1+,6-2+,20-12+
InChIKey
YZYDHKTWQAHXGE-NGWFKBEYSA-N
Compound name
(E)-[2-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]quinolin-4-yl]methylidenehydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1066 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11388 177.7
[M+Na]+ 357.09582 185.0
[M-H]- 333.09932 186.0
[M+NH4]+ 352.14042 190.3
[M+K]+ 373.06976 175.9
[M+H-H2O]+ 317.10386 172.7
[M+HCOO]- 379.10480 204.8
[M+CH3COO]- 393.12045 208.2
[M+Na-2H]- 355.08127 185.6
[M]+ 334.10605 178.3
[M]- 334.10715 178.3
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.