CID 29292

18833-70-0

Structural Information

Molecular Formula
C19H25ClN2S
SMILES
CN(C)CCCSC1=C2CCCCCC2=NC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H25ClN2S/c1-22(2)11-6-12-23-19-15-7-4-3-5-8-17(15)21-18-10-9-14(20)13-16(18)19/h9-10,13H,3-8,11-12H2,1-2H3
InChIKey
GQHNTQYBOOGITB-UHFFFAOYSA-N
Compound name
3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)sulfanyl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1427 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14998 179.2
[M+Na]+ 371.13192 185.1
[M-H]- 347.13542 184.3
[M+NH4]+ 366.17652 194.4
[M+K]+ 387.10586 183.6
[M+H-H2O]+ 331.13996 172.3
[M+HCOO]- 393.14090 187.8
[M+CH3COO]- 407.15655 188.5
[M+Na-2H]- 369.11737 180.8
[M]+ 348.14215 180.4
[M]- 348.14325 180.4
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.