CID 215666

Brn 0413249

Structural Information

Molecular Formula
C18H22N2O
SMILES
CC(C)NC(=O)C1=C2CCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C18H22N2O/c1-12(2)19-18(21)17-13-8-4-3-5-10-15(13)20-16-11-7-6-9-14(16)17/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,19,21)
InChIKey
NKXVRUIEIRLFBN-UHFFFAOYSA-N
Compound name
N-propan-2-yl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 164.4
[M+Na]+ 305.16244 168.6
[M-H]- 281.16594 169.0
[M+NH4]+ 300.20704 179.8
[M+K]+ 321.13638 168.7
[M+H-H2O]+ 265.17048 157.8
[M+HCOO]- 327.17142 180.7
[M+CH3COO]- 341.18707 174.2
[M+Na-2H]- 303.14789 168.8
[M]+ 282.17267 159.4
[M]- 282.17377 159.4
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.