CID 6434824

64037-55-4

Structural Information

Molecular Formula
C18H26N2O2S
SMILES
C1COCCN1C/C=C(/CN2CCOCC2)\SC3=CC=CC=C3
InChI
InChI=1S/C18H26N2O2S/c1-2-4-17(5-3-1)23-18(16-20-10-14-22-15-11-20)6-7-19-8-12-21-13-9-19/h1-6H,7-16H2/b18-6-
InChIKey
ZOMHQIPVPLKQBW-FXBPXSCXSA-N
Compound name
4-[(Z)-4-morpholin-4-yl-2-phenylsulfanylbut-2-enyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1715 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17878 179.2
[M+Na]+ 357.16072 180.0
[M-H]- 333.16422 184.6
[M+NH4]+ 352.20532 186.7
[M+K]+ 373.13466 177.7
[M+H-H2O]+ 317.16876 168.8
[M+HCOO]- 379.16970 185.7
[M+CH3COO]- 393.18535 186.2
[M+Na-2H]- 355.14617 179.0
[M]+ 334.17095 174.2
[M]- 334.17205 174.2
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.