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]+ 337.12953 175.8
[M+Na]+ 359.11147 182.3
[M-H]- 335.11497 183.5
[M+NH4]+ 354.15607 188.0
[M+K]+ 375.08541 174.0
[M+H-H2O]+ 319.11951 169.9
[M+HCOO]- 381.12045 201.8
[M+CH3COO]- 395.13610 213.4
[M+Na-2H]- 357.09692 185.0
[M]+ 336.12170 176.6
[M]- 336.12280 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.