CID 215688

36068-70-9

Structural Information

Molecular Formula
C21H26N2O
SMILES
CC1=CC2=C(C=C1)N=C3CCCCCC3=C2C(=O)N4CCCCC4
InChI
InChI=1S/C21H26N2O/c1-15-10-11-19-17(14-15)20(21(24)23-12-6-3-7-13-23)16-8-4-2-5-9-18(16)22-19/h10-11,14H,2-9,12-13H2,1H3
InChIKey
MAJZLBWUGMPXOC-UHFFFAOYSA-N
Compound name
(2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 178.3
[M+Na]+ 345.19372 181.6
[M-H]- 321.19722 183.3
[M+NH4]+ 340.23832 190.5
[M+K]+ 361.16766 179.5
[M+H-H2O]+ 305.20176 169.0
[M+HCOO]- 367.20270 189.2
[M+CH3COO]- 381.21835 186.1
[M+Na-2H]- 343.17917 179.9
[M]+ 322.20395 169.4
[M]- 322.20505 169.4
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.