CID 169514

Zinc isopropyloctadecyldithiocarbamate

Structural Information

Molecular Formula
C22H45NS2
SMILES
CCCCCCCCCCCCCCCCCCN(C(C)C)C(=S)S
InChI
InChI=1S/C22H45NS2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(21(2)3)22(24)25/h21H,4-20H2,1-3H3,(H,24,25)
InChIKey
RAJGZWBPBBQLKS-UHFFFAOYSA-N
Compound name
octadecyl(propan-2-yl)carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

387.29935 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.30663 200.2
[M+Na]+ 410.28857 205.2
[M+NH4]+ 405.33317 206.5
[M+K]+ 426.26251 193.7
[M-H]- 386.29207 200.3
[M+Na-2H]- 408.27402 199.1
[M]+ 387.29880 201.6
[M]- 387.29990 201.6
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

patents stripe