CID 208180

2-((o-chlorobenzyl)oxy)thioxanthene-delta(sup 9,gamma)-propylamine fumarate

Structural Information

Molecular Formula
C23H22ClNOS
SMILES
C1=CC=C(C(=C1)COC2=CC3=C(C=C2)SC4=CC=CC=C4C3CCCN)Cl
InChI
InChI=1S/C23H22ClNOS/c24-21-9-3-1-6-16(21)15-26-17-11-12-23-20(14-17)18(8-5-13-25)19-7-2-4-10-22(19)27-23/h1-4,6-7,9-12,14,18H,5,8,13,15,25H2
InChIKey
RGVFQJYCDDZITP-UHFFFAOYSA-N
Compound name
3-[2-[(2-chlorophenyl)methoxy]-9H-thioxanthen-9-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.11105 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.11833 190.3
[M+Na]+ 418.10027 198.4
[M-H]- 394.10377 197.3
[M+NH4]+ 413.14487 204.6
[M+K]+ 434.07421 189.8
[M+H-H2O]+ 378.10831 182.4
[M+HCOO]- 440.10925 200.8
[M+CH3COO]- 454.12490 199.7
[M+Na-2H]- 416.08572 193.1
[M]+ 395.11050 194.6
[M]- 395.11160 194.6
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

No patent data available for this compound.