CID 45268451

Chembl560735

Structural Information

Molecular Formula
C21H18N4O
SMILES
CC1=CC(=C2C=CC(=CC2=N1)OC)N/N=C/C3=CC=NC4=CC=CC=C34
InChI
InChI=1S/C21H18N4O/c1-14-11-21(18-8-7-16(26-2)12-20(18)24-14)25-23-13-15-9-10-22-19-6-4-3-5-17(15)19/h3-13H,1-2H3,(H,24,25)/b23-13+
InChIKey
VOEROEGQAZLUPL-YDZHTSKRSA-N
Compound name
7-methoxy-2-methyl-N-[(E)-quinolin-4-ylmethylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.14807 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15535 181.6
[M+Na]+ 365.13729 191.3
[M-H]- 341.14079 189.0
[M+NH4]+ 360.18189 194.2
[M+K]+ 381.11123 184.5
[M+H-H2O]+ 325.14533 169.9
[M+HCOO]- 387.14627 205.3
[M+CH3COO]- 401.16192 192.5
[M+Na-2H]- 363.12274 191.7
[M]+ 342.14752 185.2
[M]- 342.14862 185.2
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.