CID 56842532

87236-71-3

Structural Information

Molecular Formula
C19H26N2OS2
SMILES
CCCCN(CCCC)C(=S)SCC1=C(C2=C(C=CC=N2)C=C1)O
InChI
InChI=1S/C19H26N2OS2/c1-3-5-12-21(13-6-4-2)19(23)24-14-16-10-9-15-8-7-11-20-17(15)18(16)22/h7-11,22H,3-6,12-14H2,1-2H3
InChIKey
GHUMBRRHICYOPL-UHFFFAOYSA-N
Compound name
(8-hydroxyquinolin-7-yl)methyl N,N-dibutylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.14865 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15593 182.3
[M+Na]+ 385.13787 187.4
[M-H]- 361.14137 183.8
[M+NH4]+ 380.18247 195.3
[M+K]+ 401.11181 180.8
[M+H-H2O]+ 345.14591 174.4
[M+HCOO]- 407.14685 190.5
[M+CH3COO]- 421.16250 217.7
[M+Na-2H]- 383.12332 181.6
[M]+ 362.14810 187.4
[M]- 362.14920 187.4
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.