CID 29341

18937-25-2

Structural Information

Molecular Formula
C19H26N2S
SMILES
CN(C)CCCSC1=C2CCCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C19H26N2S/c1-21(2)13-8-14-22-19-15-9-4-3-5-11-17(15)20-18-12-7-6-10-16(18)19/h6-7,10,12H,3-5,8-9,11,13-14H2,1-2H3
InChIKey
CANSSOFIVROGMH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylsulfanyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.18167 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18895 172.8
[M+Na]+ 337.17089 183.5
[M+NH4]+ 332.21549 182.0
[M+K]+ 353.14483 174.2
[M-H]- 313.17439 177.1
[M+Na-2H]- 335.15634 178.3
[M]+ 314.18112 176.2
[M]- 314.18222 176.2
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.