CID 9571163

Chembl1237257

Structural Information

Molecular Formula
C18H16N4O2
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C)N/N=C/C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C18H16N4O2/c1-12-6-5-8-15-16(10-13(2)20-18(12)15)21-19-11-14-7-3-4-9-17(14)22(23)24/h3-11H,1-2H3,(H,20,21)/b19-11+
InChIKey
OZBWVRHWVWEVBQ-YBFXNURJSA-N
Compound name
2,8-dimethyl-N-[(E)-(2-nitrophenyl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.12732 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13460 172.8
[M+Na]+ 343.11654 179.6
[M-H]- 319.12004 180.6
[M+NH4]+ 338.16114 185.9
[M+K]+ 359.09048 170.6
[M+H-H2O]+ 303.12458 167.3
[M+HCOO]- 365.12552 198.7
[M+CH3COO]- 379.14117 211.2
[M+Na-2H]- 341.10199 181.9
[M]+ 320.12677 172.3
[M]- 320.12787 172.3
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.