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]+ 282.16008 165.3
[M+Na]+ 304.14202 170.9
[M-H]- 280.14552 170.6
[M+NH4]+ 299.18662 179.7
[M+K]+ 320.11596 165.9
[M+H-H2O]+ 264.15006 156.3
[M+HCOO]- 326.15100 185.0
[M+CH3COO]- 340.16665 175.5
[M+Na-2H]- 302.12747 169.7
[M]+ 281.15225 160.7
[M]- 281.15335 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.