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

5
Patents

362.12195 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12923 183.4
[M+Na]+ 385.11117 198.1
[M+NH4]+ 380.15577 193.4
[M+K]+ 401.08511 188.7
[M-H]- 361.11467 191.0
[M+Na-2H]- 383.09662 189.7
[M]+ 362.12140 188.6
[M]- 362.12250 188.6
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