CID 3071429

88013-35-8

Structural Information

Molecular Formula
C19H23ClN2OS
SMILES
CN1CC(C2=C(C1)SC(=C2)CN3CCOCC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H23ClN2OS/c1-21-12-18(14-2-4-15(20)5-3-14)17-10-16(24-19(17)13-21)11-22-6-8-23-9-7-22/h2-5,10,18H,6-9,11-13H2,1H3
InChIKey
SWIUUAYVZGNGGZ-UHFFFAOYSA-N
Compound name
4-[[4-(4-chlorophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

362.12195 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.129226 185.3
[M+Na]+ 385.111168 192.5
[M-H]- 361.114674 192.9
[M+NH4]+ 380.155773 198.2
[M+K]+ 401.085108 186.8
[M+H-H2O]+ 345.119210 176.8
[M+HCOO]- 407.120151 190.2
[M+CH3COO]- 421.135801 194.4
[M+Na-2H]- 383.096616 182.5
[M]+ 362.12140142 185.1
[M]- 362.12249858 185.1
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

patents stripe