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
2
Annotation Hits

0
References

189
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 200.1
[M+Na]+ 410.28857 199.4
[M-H]- 386.29207 198.5
[M+NH4]+ 405.33317 212.7
[M+K]+ 426.26251 194.0
[M+H-H2O]+ 370.29661 191.5
[M+HCOO]- 432.29755 206.6
[M+CH3COO]- 446.31320 230.8
[M+Na-2H]- 408.27402 191.6
[M]+ 387.29880 208.2
[M]- 387.29990 208.2
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

patents stripe