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]+ 351.210076 186.5
[M+Na]+ 373.192018 187.8
[M-H]- 349.195524 190.3
[M+NH4]+ 368.236623 196.6
[M+K]+ 389.165958 184.7
[M+H-H2O]+ 333.200060 177.2
[M+HCOO]- 395.201001 197.3
[M+CH3COO]- 409.216651 214.6
[M+Na-2H]- 371.177466 184.7
[M]+ 350.20225142 186.8
[M]- 350.20334858 186.8
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.