CID 3088201

Brn 4524330

Structural Information

Molecular Formula
C17H19N3O2
SMILES
COC1=CC=C(C=C1)NC2=C(C=C3CCCCC3=N2)C(=O)N
InChI
InChI=1S/C17H19N3O2/c1-22-13-8-6-12(7-9-13)19-17-14(16(18)21)10-11-4-2-3-5-15(11)20-17/h6-10H,2-5H2,1H3,(H2,18,21)(H,19,20)
InChIKey
UFCUUUOCZUWLPY-UHFFFAOYSA-N
Compound name
2-(4-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 168.1
[M+Na]+ 320.13696 173.5
[M-H]- 296.14046 173.3
[M+NH4]+ 315.18156 181.8
[M+K]+ 336.11090 169.3
[M+H-H2O]+ 280.14500 158.8
[M+HCOO]- 342.14594 188.0
[M+CH3COO]- 356.16159 209.2
[M+Na-2H]- 318.12241 172.6
[M]+ 297.14719 164.9
[M]- 297.14829 164.9
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.