CID 3088202

Brn 5983950

Structural Information

Molecular Formula
C17H19N3O2
SMILES
COC1=CC=CC=C1NC2=C(C=C3CCCCC3=N2)C(=O)N
InChI
InChI=1S/C17H19N3O2/c1-22-15-9-5-4-8-14(15)20-17-12(16(18)21)10-11-6-2-3-7-13(11)19-17/h4-5,8-10H,2-3,6-7H2,1H3,(H2,18,21)(H,19,20)
InChIKey
AWRNFTCQQVWBCA-UHFFFAOYSA-N
Compound name
2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.14774 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 169.5
[M+Na]+ 320.13696 181.7
[M+NH4]+ 315.18156 177.2
[M+K]+ 336.11090 174.7
[M-H]- 296.14046 174.5
[M+Na-2H]- 318.12241 176.5
[M]+ 297.14719 172.4
[M]- 297.14829 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.