CID 3055300

72278-53-6

Structural Information

Molecular Formula
C18H23NOS
SMILES
CC(CN1CCSCC1)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C18H23NOS/c1-14(13-19-7-9-21-10-8-19)15-3-4-17-12-18(20-2)6-5-16(17)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKey
XJFSOYAMJALDBY-UHFFFAOYSA-N
Compound name
4-[2-(6-methoxynaphthalen-2-yl)propyl]thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

301.15002 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15730 169.6
[M+Na]+ 324.13924 174.5
[M-H]- 300.14274 174.5
[M+NH4]+ 319.18384 184.6
[M+K]+ 340.11318 169.8
[M+H-H2O]+ 284.14728 161.1
[M+HCOO]- 346.14822 181.0
[M+CH3COO]- 360.16387 179.2
[M+Na-2H]- 322.12469 170.6
[M]+ 301.14947 168.9
[M]- 301.15057 168.9
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

patents stripe