CID 45269313

Chembl561800

Structural Information

Molecular Formula
C20H22N4O
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)N/N=C/C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C20H22N4O/c1-14-11-20(18-12-17(25-4)9-10-19(18)22-14)23-21-13-15-5-7-16(8-6-15)24(2)3/h5-13H,1-4H3,(H,22,23)/b21-13+
InChIKey
BBNJBDBOARILOO-FYJGNVAPSA-N
Compound name
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxy-2-methylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.17935 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18663 181.1
[M+Na]+ 357.16857 188.3
[M-H]- 333.17207 190.1
[M+NH4]+ 352.21317 195.1
[M+K]+ 373.14251 184.4
[M+H-H2O]+ 317.17661 170.5
[M+HCOO]- 379.17755 207.2
[M+CH3COO]- 393.19320 226.2
[M+Na-2H]- 355.15402 187.4
[M]+ 334.17880 184.6
[M]- 334.17990 184.6
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.