CID 3038073

16531-36-5

Structural Information

Molecular Formula
C19H32N2OS
SMILES
CCN(CC)CCCNC(=S)C1=CC=C(C=C1)OCCC(C)C
InChI
InChI=1S/C19H32N2OS/c1-5-21(6-2)14-7-13-20-19(23)17-8-10-18(11-9-17)22-15-12-16(3)4/h8-11,16H,5-7,12-15H2,1-4H3,(H,20,23)
InChIKey
LBNGNSVMGRTSMZ-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]-4-(3-methylbutoxy)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.22354 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23082 186.2
[M+Na]+ 359.21276 188.3
[M-H]- 335.21626 189.5
[M+NH4]+ 354.25736 200.3
[M+K]+ 375.18670 185.0
[M+H-H2O]+ 319.22080 177.5
[M+HCOO]- 381.22174 202.7
[M+CH3COO]- 395.23739 221.5
[M+Na-2H]- 357.19821 183.2
[M]+ 336.22299 191.2
[M]- 336.22409 191.2
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.