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

1
Patents

344.1381 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14538 180.7
[M+Na]+ 367.12732 184.3
[M-H]- 343.13082 188.3
[M+NH4]+ 362.17192 195.0
[M+K]+ 383.10126 179.1
[M+H-H2O]+ 327.13536 171.5
[M+HCOO]- 389.13630 194.4
[M+CH3COO]- 403.15195 219.9
[M+Na-2H]- 365.11277 180.4
[M]+ 344.13755 184.0
[M]- 344.13865 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