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 180.4
[M+Na]+ 332.20972 186.6
[M-H]- 308.21322 186.1
[M+NH4]+ 327.25432 191.1
[M+K]+ 348.18366 183.9
[M+H-H2O]+ 292.21776 172.0
[M+HCOO]- 354.21870 190.5
[M+CH3COO]- 368.23435 187.4
[M+Na-2H]- 330.19517 182.5
[M]+ 309.21995 171.3
[M]- 309.22105 171.3
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.