CID 45324

Usaf a-9869

Structural Information

Molecular Formula
C18H30N2OS
SMILES
CCCCN(CCCC)CCCOC(=S)C1=CC=C(C=C1)N
InChI
InChI=1S/C18H30N2OS/c1-3-5-12-20(13-6-4-2)14-7-15-21-18(22)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3
InChIKey
USDBVRPFFFHQMD-UHFFFAOYSA-N
Compound name
O-[3-(dibutylamino)propyl] 4-aminobenzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2079 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21518 180.9
[M+Na]+ 345.19712 189.2
[M+NH4]+ 340.24172 187.9
[M+K]+ 361.17106 180.1
[M-H]- 321.20062 183.7
[M+Na-2H]- 343.18257 184.7
[M]+ 322.20735 183.1
[M]- 322.20845 183.1
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.