CID 3088203

Brn 5977855

Structural Information

Molecular Formula
C16H16ClN3O
SMILES
C1CCC2=NC(=C(C=C2C1)C(=O)N)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H16ClN3O/c17-11-5-7-12(8-6-11)19-16-13(15(18)21)9-10-3-1-2-4-14(10)20-16/h5-9H,1-4H2,(H2,18,21)(H,19,20)
InChIKey
JOTBSSWNXQARID-UHFFFAOYSA-N
Compound name
2-(4-chloroanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.09818 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10546 167.8
[M+Na]+ 324.08740 181.6
[M+NH4]+ 319.13200 176.6
[M+K]+ 340.06134 173.4
[M-H]- 300.09090 173.4
[M+Na-2H]- 322.07285 175.6
[M]+ 301.09763 171.6
[M]- 301.09873 171.6
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.