CID 3052010

68339-73-1

Structural Information

Molecular Formula
C17H18ClN3
SMILES
CC1CCC2=CC=CC=C2N1C(=NC3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C17H18ClN3/c1-12-6-7-13-4-2-3-5-16(13)21(12)17(19)20-15-10-8-14(18)9-11-15/h2-5,8-12H,6-7H2,1H3,(H2,19,20)
InChIKey
STQOBPBTROMBRQ-UHFFFAOYSA-N
Compound name
N'-(4-chlorophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11893 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12621 169.5
[M+Na]+ 322.10815 184.3
[M+NH4]+ 317.15275 179.1
[M+K]+ 338.08209 174.9
[M-H]- 298.11165 176.1
[M+Na-2H]- 320.09360 178.1
[M]+ 299.11838 173.8
[M]- 299.11948 173.8
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.