CID 362377

Nsc626121

Structural Information

Molecular Formula
C20H22N2O2S2
SMILES
COC1=CC2=C(C=C1)N=C(C=C2C(CN3CCSCC3)O)C4=CC=CS4
InChI
InChI=1S/C20H22N2O2S2/c1-24-14-4-5-17-15(11-14)16(12-18(21-17)20-3-2-8-26-20)19(23)13-22-6-9-25-10-7-22/h2-5,8,11-12,19,23H,6-7,9-10,13H2,1H3
InChIKey
OKNKEAGLYVCUDV-UHFFFAOYSA-N
Compound name
1-(6-methoxy-2-thiophen-2-ylquinolin-4-yl)-2-thiomorpholin-4-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.11227 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11955 185.1
[M+Na]+ 409.10149 192.6
[M-H]- 385.10499 191.2
[M+NH4]+ 404.14609 197.0
[M+K]+ 425.07543 185.8
[M+H-H2O]+ 369.10953 177.6
[M+HCOO]- 431.11047 192.3
[M+CH3COO]- 445.12612 193.9
[M+Na-2H]- 407.08694 184.0
[M]+ 386.11172 186.9
[M]- 386.11282 186.9
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.