CID 3038208

Brn 1139884

Structural Information

Molecular Formula
C19H30N2O2S
SMILES
CC(C)CCOC1=CC=C(C=C1)C(=S)NCCCN2CCOCC2
InChI
InChI=1S/C19H30N2O2S/c1-16(2)8-13-23-18-6-4-17(5-7-18)19(24)20-9-3-10-21-11-14-22-15-12-21/h4-7,16H,3,8-15H2,1-2H3,(H,20,24)
InChIKey
IHFZDDZYZMENDL-UHFFFAOYSA-N
Compound name
4-(3-methylbutoxy)-N-(3-morpholin-4-ylpropyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2028 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21008 185.5
[M+Na]+ 373.19202 194.7
[M+NH4]+ 368.23662 192.3
[M+K]+ 389.16596 186.2
[M-H]- 349.19552 190.1
[M+Na-2H]- 371.17747 189.6
[M]+ 350.20225 188.4
[M]- 350.20335 188.4
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.