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]+ 316.121106 172.9
[M+Na]+ 338.103048 179.8
[M-H]- 314.106554 179.2
[M+NH4]+ 333.147653 187.6
[M+K]+ 354.076988 174.1
[M+H-H2O]+ 298.111090 164.1
[M+HCOO]- 360.112031 189.6
[M+CH3COO]- 374.127681 183.4
[M+Na-2H]- 336.088496 177.1
[M]+ 315.11328142 172.4
[M]- 315.11437858 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.