CID 3075010

171011-14-6

Structural Information

Molecular Formula
C17H18ClN3O
SMILES
COC1=C(C=C2CCCCC2=N1)C(=NC3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C17H18ClN3O/c1-22-17-14(10-11-4-2-3-5-15(11)21-17)16(19)20-13-8-6-12(18)7-9-13/h6-10H,2-5H2,1H3,(H2,19,20)
InChIKey
WQOHSRDNSIYDTF-UHFFFAOYSA-N
Compound name
N'-(4-chlorophenyl)-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.11383 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12111 172.9
[M+Na]+ 338.10305 179.8
[M-H]- 314.10655 179.2
[M+NH4]+ 333.14765 187.6
[M+K]+ 354.07699 174.1
[M+H-H2O]+ 298.11109 164.1
[M+HCOO]- 360.11203 189.6
[M+CH3COO]- 374.12768 183.4
[M+Na-2H]- 336.08850 177.1
[M]+ 315.11328 172.4
[M]- 315.11438 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.