CID 9594976

Mls001207566

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)N/N=C/C3=C(C=C(C=C3)OC)OC
InChI
InChI=1S/C20H21N3O3/c1-13-9-19(17-10-15(24-2)7-8-18(17)22-13)23-21-12-14-5-6-16(25-3)11-20(14)26-4/h5-12H,1-4H3,(H,22,23)/b21-12+
InChIKey
LEHNGCPHFSETMC-CIAFOILYSA-N
Compound name
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-methoxy-2-methylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

351.1583 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.165576 183.9
[M+Na]+ 374.147518 192.4
[M-H]- 350.151024 191.9
[M+NH4]+ 369.192123 197.0
[M+K]+ 390.121458 188.5
[M+H-H2O]+ 334.155560 173.4
[M+HCOO]- 396.156501 208.8
[M+CH3COO]- 410.172151 223.4
[M+Na-2H]- 372.132966 189.7
[M]+ 351.15775142 190.0
[M]- 351.15884858 190.0
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.