CID 12213874

2-nitrobenzaldehyde [7-(2-hydroxyethyl)-2-methylquinolin-4-yl]hydrazone

Structural Information

Molecular Formula
C19H18N4O3
SMILES
CCOC1=CC2=NC(=CC(=C2C=C1)N/N=C/C3=CC=CC=C3[N+](=O)[O-])C
InChI
InChI=1S/C19H18N4O3/c1-3-26-15-8-9-16-17(11-15)21-13(2)10-18(16)22-20-12-14-6-4-5-7-19(14)23(24)25/h4-12H,3H2,1-2H3,(H,21,22)/b20-12+
InChIKey
MSBGKNLOFYNTNG-UDWIEESQSA-N
Compound name
7-ethoxy-2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.13788 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14516 180.5
[M+Na]+ 373.12710 186.5
[M-H]- 349.13060 188.0
[M+NH4]+ 368.17170 192.1
[M+K]+ 389.10104 178.0
[M+H-H2O]+ 333.13514 174.4
[M+HCOO]- 395.13608 206.1
[M+CH3COO]- 409.15173 216.4
[M+Na-2H]- 371.11255 189.2
[M]+ 350.13733 181.6
[M]- 350.13843 181.6
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.