CID 9574463

Schembl5593227

Structural Information

Molecular Formula
C21H16ClN3O
SMILES
COC1=C(C2=CC=CC=C2C=C1)/C=N/NC3=C4C=CC(=CC4=NC=C3)Cl
InChI
InChI=1S/C21H16ClN3O/c1-26-21-9-6-14-4-2-3-5-16(14)18(21)13-24-25-19-10-11-23-20-12-15(22)7-8-17(19)20/h2-13H,1H3,(H,23,25)/b24-13+
InChIKey
LXQYHTGCRFDWNE-ZMOGYAJESA-N
Compound name
7-chloro-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

361.09818 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.10546 183.7
[M+Na]+ 384.08740 194.3
[M-H]- 360.09090 192.2
[M+NH4]+ 379.13200 198.0
[M+K]+ 400.06134 186.5
[M+H-H2O]+ 344.09544 173.5
[M+HCOO]- 406.09638 204.2
[M+CH3COO]- 420.11203 195.0
[M+Na-2H]- 382.07285 193.1
[M]+ 361.09763 189.4
[M]- 361.09873 189.4
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

patents stripe