CID 3063868

Morpholine, 4-(o-(2-(diethylamino)ethoxy)thiobenzoyl)-

Structural Information

Molecular Formula
C17H26N2O2S
SMILES
CCN(CC)CCOC1=CC=CC=C1C(=S)N2CCOCC2
InChI
InChI=1S/C17H26N2O2S/c1-3-18(4-2)9-14-21-16-8-6-5-7-15(16)17(22)19-10-12-20-13-11-19/h5-8H,3-4,9-14H2,1-2H3
InChIKey
CYGXGIRHJBXEEG-UHFFFAOYSA-N
Compound name
[2-[2-(diethylamino)ethoxy]phenyl]-morpholin-4-ylmethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1715 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17878 178.0
[M+Na]+ 345.16072 180.7
[M-H]- 321.16422 183.7
[M+NH4]+ 340.20532 190.0
[M+K]+ 361.13466 178.9
[M+H-H2O]+ 305.16876 168.8
[M+HCOO]- 367.16970 191.0
[M+CH3COO]- 381.18535 211.1
[M+Na-2H]- 343.14617 177.6
[M]+ 322.17095 179.5
[M]- 322.17205 179.5
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

No patent data available for this compound.