CID 9574465

Chembl273071

Structural Information

Molecular Formula
C20H21ClN4
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C20H21ClN4/c1-3-25(4-2)17-8-5-15(6-9-17)14-23-24-19-11-12-22-20-13-16(21)7-10-18(19)20/h5-14H,3-4H2,1-2H3,(H,22,24)/b23-14+
InChIKey
AGWBCQKBQMHKBQ-OEAKJJBVSA-N
Compound name
7-chloro-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

352.14548 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15276 185.2
[M+Na]+ 375.13470 192.4
[M-H]- 351.13820 193.3
[M+NH4]+ 370.17930 199.1
[M+K]+ 391.10864 186.1
[M+H-H2O]+ 335.14274 175.0
[M+HCOO]- 397.14368 206.4
[M+CH3COO]- 411.15933 226.4
[M+Na-2H]- 373.12015 191.5
[M]+ 352.14493 189.3
[M]- 352.14603 189.3
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.