CID 3038192

32412-16-1

Structural Information

Molecular Formula
C17H26N2O2S
SMILES
CC(C)OC1=CC=C(C=C1)C(=S)NCCCN2CCOCC2
InChI
InChI=1S/C17H26N2O2S/c1-14(2)21-16-6-4-15(5-7-16)17(22)18-8-3-9-19-10-12-20-13-11-19/h4-7,14H,3,8-13H2,1-2H3,(H,18,22)
InChIKey
ICTUQVMPIPNXLW-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-4-propan-2-yloxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1715 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17878 177.9
[M+Na]+ 345.16072 180.1
[M-H]- 321.16422 182.1
[M+NH4]+ 340.20532 189.1
[M+K]+ 361.13466 177.4
[M+H-H2O]+ 305.16876 169.0
[M+HCOO]- 367.16970 189.4
[M+CH3COO]- 381.18535 208.7
[M+Na-2H]- 343.14617 177.1
[M]+ 322.17095 177.5
[M]- 322.17205 177.5
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.