CID 3088199

Brn 5975158

Structural Information

Molecular Formula
C17H19N3O
SMILES
CC1=CC=CC=C1NC2=C(C=C3CCCCC3=N2)C(=O)N
InChI
InChI=1S/C17H19N3O/c1-11-6-2-4-8-14(11)19-17-13(16(18)21)10-12-7-3-5-9-15(12)20-17/h2,4,6,8,10H,3,5,7,9H2,1H3,(H2,18,21)(H,19,20)
InChIKey
MBOACEBEOXFQMO-UHFFFAOYSA-N
Compound name
2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1528 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.160076 165.3
[M+Na]+ 304.142018 170.9
[M-H]- 280.145524 170.6
[M+NH4]+ 299.186623 179.7
[M+K]+ 320.115958 165.9
[M+H-H2O]+ 264.150060 156.3
[M+HCOO]- 326.151001 185.0
[M+CH3COO]- 340.166651 175.5
[M+Na-2H]- 302.127466 169.7
[M]+ 281.15225142 160.7
[M]- 281.15334858 160.7
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.