CID 3038079

16575-27-2

Structural Information

Molecular Formula
C18H30N2OS
SMILES
CCCCOC1=CC=C(C=C1)C(=S)NCCCN(CC)CC
InChI
InChI=1S/C18H30N2OS/c1-4-7-15-21-17-11-9-16(10-12-17)18(22)19-13-8-14-20(5-2)6-3/h9-12H,4-8,13-15H2,1-3H3,(H,19,22)
InChIKey
QOIIYAIOCGMFDK-UHFFFAOYSA-N
Compound name
4-butoxy-N-[3-(diethylamino)propyl]benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2079 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21518 181.0
[M+Na]+ 345.19712 189.6
[M+NH4]+ 340.24172 188.2
[M+K]+ 361.17106 180.2
[M-H]- 321.20062 184.0
[M+Na-2H]- 343.18257 185.2
[M]+ 322.20735 183.3
[M]- 322.20845 183.3
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.