CID 3005676

Nsc661199

Structural Information

Molecular Formula
C17H37N2O3PS
SMILES
CCCCCCN(CCCCCC)C(=S)NP(=O)(OCC)OCC
InChI
InChI=1S/C17H37N2O3PS/c1-5-9-11-13-15-19(16-14-12-10-6-2)17(24)18-23(20,21-7-3)22-8-4/h5-16H2,1-4H3,(H,18,20,24)
InChIKey
OVCTZBMYWZUDJJ-UHFFFAOYSA-N
Compound name
3-diethoxyphosphoryl-1,1-dihexylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.22626 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.23354 197.8
[M+Na]+ 403.21548 198.5
[M-H]- 379.21898 196.3
[M+NH4]+ 398.26008 217.9
[M+K]+ 419.18942 196.6
[M+H-H2O]+ 363.22352 187.3
[M+HCOO]- 425.22446 225.5
[M+CH3COO]- 439.24011 227.9
[M+Na-2H]- 401.20093 192.9
[M]+ 380.22571 207.6
[M]- 380.22681 207.6
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

No patent data available for this compound.