CID 1224279

N-(2-(phenylthio)benzyl)morpholine maleate

Structural Information

Molecular Formula
C17H19NOS
SMILES
C1COCCN1CC2=CC=CC=C2SC3=CC=CC=C3
InChI
InChI=1S/C17H19NOS/c1-2-7-16(8-3-1)20-17-9-5-4-6-15(17)14-18-10-12-19-13-11-18/h1-9H,10-14H2
InChIKey
TWTGVZQLGHMHAG-UHFFFAOYSA-N
Compound name
4-[(2-phenylsulfanylphenyl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11874 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12602 164.3
[M+Na]+ 308.10796 169.6
[M-H]- 284.11146 172.2
[M+NH4]+ 303.15256 177.3
[M+K]+ 324.08190 165.5
[M+H-H2O]+ 268.11600 155.2
[M+HCOO]- 330.11694 178.2
[M+CH3COO]- 344.13259 174.7
[M+Na-2H]- 306.09341 167.4
[M]+ 285.11819 162.5
[M]- 285.11929 162.5
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