CID 49706

67238-95-3

Structural Information

Molecular Formula
C20H27N3
SMILES
CN1CCCN(CC1)C2=C3CCCCCC3=NC4=CC=CC=C42
InChI
InChI=1S/C20H27N3/c1-22-12-7-13-23(15-14-22)20-16-8-3-2-4-10-18(16)21-19-11-6-5-9-17(19)20/h5-6,9,11H,2-4,7-8,10,12-15H2,1H3
InChIKey
YAQMVCXJRCIYFU-UHFFFAOYSA-N
Compound name
11-(4-methyl-1,4-diazepan-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2205 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.22778 184.4
[M+Na]+ 332.20972 192.1
[M+NH4]+ 327.25432 190.2
[M+K]+ 348.18366 186.9
[M-H]- 308.21322 187.1
[M+Na-2H]- 330.19517 187.9
[M]+ 309.21995 186.3
[M]- 309.22105 186.3
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.