CID 121237

Carbamic acid, diphenyldithio-, 2-(diethylamino)ethyl ester, phosphate

Structural Information

Molecular Formula
C19H24N2S2
SMILES
CCN(CC)CCSC(=S)N(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H24N2S2/c1-3-20(4-2)15-16-23-19(22)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKey
HPLQXTCMOVPQGT-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N,N-diphenylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

344.1381 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.145376 180.7
[M+Na]+ 367.127318 184.3
[M-H]- 343.130824 188.3
[M+NH4]+ 362.171923 195.0
[M+K]+ 383.101258 179.1
[M+H-H2O]+ 327.135360 171.5
[M+HCOO]- 389.136301 194.4
[M+CH3COO]- 403.151951 219.9
[M+Na-2H]- 365.112766 180.4
[M]+ 344.13755142 184.0
[M]- 344.13864858 184.0
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