CID 9571164

Chembl1237281

Structural Information

Molecular Formula
C18H16N4O3
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)N/N=C/C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C18H16N4O3/c1-12-9-17(15-10-14(25-2)7-8-16(15)20-12)21-19-11-13-5-3-4-6-18(13)22(23)24/h3-11H,1-2H3,(H,20,21)/b19-11+
InChIKey
ZIEIEUVQFPOJGJ-YBFXNURJSA-N
Compound name
6-methoxy-2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.12225 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.129526 175.8
[M+Na]+ 359.111468 182.3
[M-H]- 335.114974 183.5
[M+NH4]+ 354.156073 188.0
[M+K]+ 375.085408 174.0
[M+H-H2O]+ 319.119510 169.9
[M+HCOO]- 381.120451 201.8
[M+CH3COO]- 395.136101 213.4
[M+Na-2H]- 357.096916 185.0
[M]+ 336.12170142 176.6
[M]- 336.12279858 176.6
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

No patent data available for this compound.