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 185.3
[M+Na]+ 385.11117 192.5
[M-H]- 361.11467 192.9
[M+NH4]+ 380.15577 198.2
[M+K]+ 401.08511 186.8
[M+H-H2O]+ 345.11921 176.8
[M+HCOO]- 407.12015 190.2
[M+CH3COO]- 421.13580 194.4
[M+Na-2H]- 383.09662 182.5
[M]+ 362.12140 185.1
[M]- 362.12250 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