CID 381037

Nsc667058

Structural Information

Molecular Formula
C18H15ClN2
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C)C=NC3=CC=CC=C3Cl
InChI
InChI=1S/C18H15ClN2/c1-12-7-8-17-15(9-12)13(2)10-14(21-17)11-20-18-6-4-3-5-16(18)19/h3-11H,1-2H3
InChIKey
DSOWDBQHGYLTHY-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.09238 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09966 168.5
[M+Na]+ 317.08160 179.3
[M-H]- 293.08510 176.2
[M+NH4]+ 312.12620 185.3
[M+K]+ 333.05554 172.0
[M+H-H2O]+ 277.08964 159.8
[M+HCOO]- 339.09058 187.9
[M+CH3COO]- 353.10623 181.0
[M+Na-2H]- 315.06705 174.8
[M]+ 294.09183 172.3
[M]- 294.09293 172.3
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.