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 173.2
[M+Na]+ 337.17089 177.0
[M-H]- 313.17439 178.3
[M+NH4]+ 332.21549 188.5
[M+K]+ 353.14483 176.6
[M+H-H2O]+ 297.17893 166.1
[M+HCOO]- 359.17987 186.0
[M+CH3COO]- 373.19552 182.4
[M+Na-2H]- 335.15634 175.8
[M]+ 314.18112 172.1
[M]- 314.18222 172.1
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.