CID 29290

18833-69-7

Structural Information

Molecular Formula
C20H27ClN2S
SMILES
CCN(CC)CCSC1=C2CCCCCC2=NC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C20H27ClN2S/c1-3-23(4-2)12-13-24-20-16-8-6-5-7-9-18(16)22-19-11-10-15(21)14-17(19)20/h10-11,14H,3-9,12-13H2,1-2H3
InChIKey
WVCJXVUCVOAKGK-UHFFFAOYSA-N
Compound name
2-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)sulfanyl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.15836 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.16564 183.4
[M+Na]+ 385.14758 189.0
[M-H]- 361.15108 188.3
[M+NH4]+ 380.19218 198.1
[M+K]+ 401.12152 187.2
[M+H-H2O]+ 345.15562 176.4
[M+HCOO]- 407.15656 191.7
[M+CH3COO]- 421.17221 192.3
[M+Na-2H]- 383.13303 184.6
[M]+ 362.15781 185.0
[M]- 362.15891 185.0
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.